5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine

C28H37F2NO — CID 67968632

IUPAC5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine
SMILESCCCc1ccc(C2CCC(c3ccc(C4CCC(CCC)CC4)c(F)c3F)CO2)cn1
InChIInChI=1S/C28H37F2NO/c1-3-5-19-7-9-20(10-8-19)24-14-15-25(28(30)27(24)29)22-12-16-26(32-18-22)21-11-13-23(6-4-2)31-17-21/h11,13-15,17,19-20,22,26H,3-10,12,16,18H2,1-2H3
InChIKeyKSLCPWLZNWAXON-UHFFFAOYSA-N
MW441.61 g/mol
LogP8.02
Rot. Bonds7

About 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine

5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine (PubChem CID 67968632) has the molecular formula C28H37F2NO and a molecular weight of 441.61 g/mol. Its IUPAC name is 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine.

Molecular Properties

Compound Name5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine
PubChem CID67968632
Molecular FormulaC28H37F2NO
Molecular Weight441.61 g/mol
Exact Mass441.28
IUPAC Name5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine
SMILESCCCc1ccc(C2CCC(c3ccc(C4CCC(CCC)CC4)c(F)c3F)CO2)cn1
InChIInChI=1S/C28H37F2NO/c1-3-5-19-7-9-20(10-8-19)24-14-15-25(28(30)27(24)29)22-12-16-26(32-18-22)21-11-13-23(6-4-2)31-17-21/h11,13-15,17,19-20,22,26H,3-10,12,16,18H2,1-2H3
InChIKeyKSLCPWLZNWAXON-UHFFFAOYSA-N
XLogP8.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.61
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine with MolForge

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Related Compounds

(NZ)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 24762415
(Z)-1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]-N-methoxymethanimine
CID 45487668
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanimine
CID 45487671
(NE)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 44555375
2-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10789674
8-[[3-[Bis(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]quinoline
CID 44529537
1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]ethanol
CID 45487640
(4-Propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665872

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine?
The IUPAC name of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine (CID 67968632) is 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine.
What is the SMILES notation for 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine?
The canonical SMILES for 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine is CCCc1ccc(C2CCC(c3ccc(C4CCC(CCC)CC4)c(F)c3F)CO2)cn1.
What is the InChIKey of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine?
The InChIKey is KSLCPWLZNWAXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2NO/c1-3-5-19-7-9-20(10-8-19)24-14-15-25(28(30)27(24)29)22-12-16-26(32-18-22)21-11-13-23(6-4-2)31-17-21/h11,13-15,17,19-20,22,26H,3-10,12,16,18H2,1-2H3.
What are the key properties of 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine?
5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine has a molecular weight of 441.61 g/mol, XLogP of 8.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-propylpyridine is sourced from PubChem (CID 67968632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).