1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane

C17H30F2 — CID 17823720

IUPAC1,1-difluoro-3-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(CC1)C2CCCC(C2)(F)F
InChIInChI=1S/C17H30F2/c1-2-3-4-6-14-8-10-15(11-9-14)16-7-5-12-17(18,19)13-16/h14-16H,2-13H2,1H3
InChIKeyZTUXNFOJDNCRSA-UHFFFAOYSA-N
MW272.40 g/mol
LogP7.70
Rot. Bonds5

About 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane

1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane (PubChem CID 17823720) has the molecular formula C17H30F2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1,1-difluoro-3-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane
PubChem CID17823720
Molecular FormulaC17H30F2
Molecular Weight272.40 g/mol
Exact Mass272.23
IUPAC Name1,1-difluoro-3-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(CC1)C2CCCC(C2)(F)F
InChIInChI=1S/C17H30F2/c1-2-3-4-6-14-8-10-15(11-9-14)16-7-5-12-17(18,19)13-16/h14-16H,2-13H2,1H3
InChIKeyZTUXNFOJDNCRSA-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity254

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.40
LogP ≤ 57.70
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

(trans,trans)-4-Pentyl-4'-(trifluoromethyl)-1,1'-bicyclohexyl
CID 57935354
4-Isopropyldicyclohexylmethane
CID 41262
trans-1-Isopropyl-4-trifluoromethyl-cyclohexane
CID 23389027
1-Cyclohexyl-1-(4-ethylcyclohexyl)ethane
CID 549955
(trans,trans)-4-Propyl-4'-(trifluoromethyl)-1,1'-bicyclohexyl
CID 22182867
4-Butyl-1,1'-bicyclohexyl
CID 18609464
1,1'-Bicyclohexyl, 4-methyl-4'-propyl-
CID 543958
(3-Cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane
CID 162420156
2,2-Difluoro-6-(4-propylcyclohexyl)spiro[2.5]octane
CID 168331323
1-Ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-Fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane
CID 10979033
1-Propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805

Frequently Asked Questions

What is the IUPAC name of 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane (CID 17823720) is 1,1-difluoro-3-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(CC1)C2CCCC(C2)(F)F.
What is the InChIKey of 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is ZTUXNFOJDNCRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2/c1-2-3-4-6-14-8-10-15(11-9-14)16-7-5-12-17(18,19)13-16/h14-16H,2-13H2,1H3.
What are the key properties of 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane?
1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 272.40 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-Difluoro-3-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 17823720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).