2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran

C23H38F2O — CID 70116305

IUPAC2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran
SMILESCCCCCC1CCC(C2CCC(C3=CCC(C)C(F)(F)O3)CC2)CC1
InChIInChI=1S/C23H38F2O/c1-3-4-5-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-7-17(2)23(24,25)26-22/h16-21H,3-15H2,1-2H3
InChIKeyWBOXMXNPIJHEDD-UHFFFAOYSA-N
MW368.55 g/mol
LogP7.71
Rot. Bonds6

About 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran

2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran (PubChem CID 70116305) has the molecular formula C23H38F2O and a molecular weight of 368.55 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran
PubChem CID70116305
Molecular FormulaC23H38F2O
Molecular Weight368.55 g/mol
Exact Mass368.29
IUPAC Name2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran
SMILESCCCCCC1CCC(C2CCC(C3=CCC(C)C(F)(F)O3)CC2)CC1
InChIInChI=1S/C23H38F2O/c1-3-4-5-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-7-17(2)23(24,25)26-22/h16-21H,3-15H2,1-2H3
InChIKeyWBOXMXNPIJHEDD-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54316605
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran?
The IUPAC name of 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran (CID 70116305) is 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran.
What is the SMILES notation for 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran?
The canonical SMILES for 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran is CCCCCC1CCC(C2CCC(C3=CCC(C)C(F)(F)O3)CC2)CC1.
What is the InChIKey of 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran?
The InChIKey is WBOXMXNPIJHEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F2O/c1-3-4-5-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-7-17(2)23(24,25)26-22/h16-21H,3-15H2,1-2H3.
What are the key properties of 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran?
2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran has a molecular weight of 368.55 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]-3,4-dihydropyran is sourced from PubChem (CID 70116305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).