1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane

C19H34F2 — CID 14765984

IUPAC1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CC(F)F)CC2)CC1
InChIInChI=1S/C19H34F2/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(20)21/h15-19H,2-14H2,1H3
InChIKeyVWYDWSQAMHKIKH-UHFFFAOYSA-N
MW300.48 g/mol
LogP6.83
Rot. Bonds7

About 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane

1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 14765984) has the molecular formula C19H34F2 and a molecular weight of 300.48 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID14765984
Molecular FormulaC19H34F2
Molecular Weight300.48 g/mol
Exact Mass300.26
IUPAC Name1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CC(F)F)CC2)CC1
InChIInChI=1S/C19H34F2/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(20)21/h15-19H,2-14H2,1H3
InChIKeyVWYDWSQAMHKIKH-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane (CID 14765984) is 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(CC(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is VWYDWSQAMHKIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(20)21/h15-19H,2-14H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane?
1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 300.48 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 14765984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).