1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol

C28H22F10N2O2 — CID 167058103

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(CN3CCC4(CC3)Cc3c(cncc3C(F)(F)F)O4)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H22F10N2O2/c29-22-11-18(25(41,27(33,34)35)28(36,37)38)5-6-19(22)17-3-1-16(2-4-17)15-40-9-7-24(8-10-40)12-20-21(26(30,31)32)13-39-14-23(20)42-24/h1-6,11,13-14,41H,7-10,12,15H2
InChIKeyQPQZEWGWGAGYKU-UHFFFAOYSA-N
MW608.48 g/mol
LogP7.19
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol (PubChem CID 167058103) has the molecular formula C28H22F10N2O2 and a molecular weight of 608.48 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol
PubChem CID167058103
Molecular FormulaC28H22F10N2O2
Molecular Weight608.48 g/mol
Exact Mass608.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(CN3CCC4(CC3)Cc3c(cncc3C(F)(F)F)O4)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H22F10N2O2/c29-22-11-18(25(41,27(33,34)35)28(36,37)38)5-6-19(22)17-3-1-16(2-4-17)15-40-9-7-24(8-10-40)12-20-21(26(30,31)32)13-39-14-23(20)42-24/h1-6,11,13-14,41H,7-10,12,15H2
InChIKeyQPQZEWGWGAGYKU-UHFFFAOYSA-N
XLogP7.19
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.48
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-2-[3-fluoro-4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)phenyl]phenyl]propan-2-ol
CID 167058085
2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89215764
1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,7-dihydrofuro[2,3-b]pyridine-2,4'-piperidine]-6-one
CID 167058101
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 89215723
2-[4-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 46829260
2-[4-[4-[[4-[(2-bromo-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71471240
1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol
CID 164740269
1'-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]spiro[3,5-dihydrofuro[3,2-c]pyridine-2,3'-azetidine]-6-one
CID 167058038
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 53239823
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 51035448
1,1,1,3,3,3-hexafluoro-2-[4-[2-fluoro-4-[(8-methylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]phenyl]phenyl]propan-2-ol
CID 139503091
1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761289

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol (CID 167058103) is 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol is OC(c1ccc(-c2ccc(CN3CCC4(CC3)Cc3c(cncc3C(F)(F)F)O4)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol?
The InChIKey is QPQZEWGWGAGYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F10N2O2/c29-22-11-18(25(41,27(33,34)35)28(36,37)38)5-6-19(22)17-3-1-16(2-4-17)15-40-9-7-24(8-10-40)12-20-21(26(30,31)32)13-39-14-23(20)42-24/h1-6,11,13-14,41H,7-10,12,15H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol has a molecular weight of 608.48 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(trifluoromethyl)spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]methyl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 167058103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).