1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol

C24H20F7NO2 — CID 87991264

IUPAC1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol
SMILESCc1cccc(Oc2cccc(C(NCC(O)C(F)(F)F)c3ccc(C(F)(F)F)cc3F)c2)c1
InChIInChI=1S/C24H20F7NO2/c1-14-4-2-6-17(10-14)34-18-7-3-5-15(11-18)22(32-13-21(33)24(29,30)31)19-9-8-16(12-20(19)25)23(26,27)28/h2-12,21-22,32-33H,13H2,1H3
InChIKeyZYFGEPYZDXAJNX-UHFFFAOYSA-N
MW487.42 g/mol
LogP6.55
Rot. Bonds7

About 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol

1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol (PubChem CID 87991264) has the molecular formula C24H20F7NO2 and a molecular weight of 487.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol
PubChem CID87991264
Molecular FormulaC24H20F7NO2
Molecular Weight487.42 g/mol
Exact Mass487.14
IUPAC Name1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol
SMILESCc1cccc(Oc2cccc(C(NCC(O)C(F)(F)F)c3ccc(C(F)(F)F)cc3F)c2)c1
InChIInChI=1S/C24H20F7NO2/c1-14-4-2-6-17(10-14)34-18-7-3-5-15(11-18)22(32-13-21(33)24(29,30)31)19-9-8-16(12-20(19)25)23(26,27)28/h2-12,21-22,32-33H,13H2,1H3
InChIKeyZYFGEPYZDXAJNX-UHFFFAOYSA-N
XLogP6.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.42
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol
CID 87968496
(2R)-3-[[[3-(3-cyclopropylphenoxy)phenyl]-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 87968827
(2R)-3-[[[3-(3-cyclopropylphenoxy)phenyl]-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 87873226
1,1,1-trifluoro-3-[[(3-phenoxyphenyl)-[3-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]propan-2-ol
CID 87792580
3-[[(3-bromophenyl)-(3-phenoxyphenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 69343482
1,1,1-trifluoro-3-[[[3-(4-fluorophenoxy)phenyl]-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]propan-2-ol
CID 18507176
3-[[[3-[3-(difluoromethoxy)phenoxy]phenyl]-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 87873792
(2R)-3-[[[3-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 87969190
(2R)-3-[3-(3,5-dimethylphenoxy)-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10458682
1,1,1-trifluoro-3-[[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methyl]amino]propan-2-ol
CID 87308266
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol (CID 87991264) is 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol is Cc1cccc(Oc2cccc(C(NCC(O)C(F)(F)F)c3ccc(C(F)(F)F)cc3F)c2)c1.
What is the InChIKey of 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol?
The InChIKey is ZYFGEPYZDXAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F7NO2/c1-14-4-2-6-17(10-14)34-18-7-3-5-15(11-18)22(32-13-21(33)24(29,30)31)19-9-8-16(12-20(19)25)23(26,27)28/h2-12,21-22,32-33H,13H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol has a molecular weight of 487.42 g/mol, XLogP of 6.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-[3-(3-methylphenoxy)phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 87991264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).