2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine

C23H25F4NO — CID 20621764

IUPAC2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine
SMILESCCOc1ccc(C2CCC(c3ccc(CCC=C(F)F)nc3)CC2)c(F)c1F
InChIInChI=1S/C23H25F4NO/c1-2-29-20-13-12-19(22(26)23(20)27)16-8-6-15(7-9-16)17-10-11-18(28-14-17)4-3-5-21(24)25/h5,10-16H,2-4,6-9H2,1H3
InChIKeyAEGUGYWULBCWBZ-UHFFFAOYSA-N
MW407.45 g/mol
LogP6.91
Rot. Bonds7

About 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine

2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine (PubChem CID 20621764) has the molecular formula C23H25F4NO and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine.

Molecular Properties

Compound Name2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine
PubChem CID20621764
Molecular FormulaC23H25F4NO
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine
SMILESCCOc1ccc(C2CCC(c3ccc(CCC=C(F)F)nc3)CC2)c(F)c1F
InChIInChI=1S/C23H25F4NO/c1-2-29-20-13-12-19(22(26)23(20)27)16-8-6-15(7-9-16)17-10-11-18(28-14-17)4-3-5-21(24)25/h5,10-16H,2-4,6-9H2,1H3
InChIKeyAEGUGYWULBCWBZ-UHFFFAOYSA-N
XLogP6.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
5-[4-[4-[(E)-but-2-enoxy]-2,3-difluorophenyl]-3,3-difluorocyclohexyl]-2-[(E)-pent-3-enyl]pyridine
CID 130261277
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-ethoxy-2,3-difluoro-4-[4-(3-fluoro-4-prop-1-enylphenyl)cyclohexyl]benzene
CID 76658371
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
[4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]phenyl] 4-(4-ethoxy-2,3-difluorophenyl)cyclohexane-1-carboxylate
CID 118316792
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
2-ethoxy-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,2-difluorocyclohexyl]pyrimidine
CID 130261682
[4-(2,3-difluoro-4-methylphenyl)cyclohexyl] 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]benzoate
CID 58453622
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine?
The IUPAC name of 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine (CID 20621764) is 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine.
What is the SMILES notation for 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine?
The canonical SMILES for 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine is CCOc1ccc(C2CCC(c3ccc(CCC=C(F)F)nc3)CC2)c(F)c1F.
What is the InChIKey of 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine?
The InChIKey is AEGUGYWULBCWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4NO/c1-2-29-20-13-12-19(22(26)23(20)27)16-8-6-15(7-9-16)17-10-11-18(28-14-17)4-3-5-21(24)25/h5,10-16H,2-4,6-9H2,1H3.
What are the key properties of 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine?
2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine has a molecular weight of 407.45 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorobut-3-enyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]pyridine is sourced from PubChem (CID 20621764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).