2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine

C17H25F2NO — CID 19765356

IUPAC2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine
SMILESCCCCCC1CCC(c2ccc(OC(F)F)nc2)CC1
InChIInChI=1S/C17H25F2NO/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(20-12-15)21-17(18)19/h10-14,17H,2-9H2,1H3
InChIKeyQRDWKRKGVFXWPD-UHFFFAOYSA-N
MW297.39 g/mol
LogP5.54
Rot. Bonds7

About 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine

2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine (PubChem CID 19765356) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine
PubChem CID19765356
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine
SMILESCCCCCC1CCC(c2ccc(OC(F)F)nc2)CC1
InChIInChI=1S/C17H25F2NO/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(20-12-15)21-17(18)19/h10-14,17H,2-9H2,1H3
InChIKeyQRDWKRKGVFXWPD-UHFFFAOYSA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980
5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine
CID 139947295
5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786062
5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
CID 19765742
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
CID 19101182

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine?
The IUPAC name of 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine (CID 19765356) is 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine?
The canonical SMILES for 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine is CCCCCC1CCC(c2ccc(OC(F)F)nc2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine?
The InChIKey is QRDWKRKGVFXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(20-12-15)21-17(18)19/h10-14,17H,2-9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine?
2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine has a molecular weight of 297.39 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine is sourced from PubChem (CID 19765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).