1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane

C16H28F2 — CID 18659073

IUPAC1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C16H28F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-16H,2-11H2,1H3
InChIKeyGUSOPHYOSDKDNV-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.66
Rot. Bonds4

About 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane

1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18659073) has the molecular formula C16H28F2 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18659073
Molecular FormulaC16H28F2
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C16H28F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-16H,2-11H2,1H3
InChIKeyGUSOPHYOSDKDNV-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 18659073) is 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C(F)F)CC2)CC1.
What is the InChIKey of 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is GUSOPHYOSDKDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-16H,2-11H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 258.40 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18659073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).