1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane

C20H36F2O — CID 57253877

IUPAC1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane
SMILESCCCC1CCC(CCCC(F)(F)COC2CCCCC2)CC1
InChIInChI=1S/C20H36F2O/c1-2-7-17-11-13-18(14-12-17)8-6-15-20(21,22)16-23-19-9-4-3-5-10-19/h17-19H,2-16H2,1H3
InChIKeyRVAYIDLVHMLTNV-UHFFFAOYSA-N
MW330.50 g/mol
LogP6.75
Rot. Bonds9

About 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane

1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane (PubChem CID 57253877) has the molecular formula C20H36F2O and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane
PubChem CID57253877
Molecular FormulaC20H36F2O
Molecular Weight330.50 g/mol
Exact Mass330.27
IUPAC Name1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane
SMILESCCCC1CCC(CCCC(F)(F)COC2CCCCC2)CC1
InChIInChI=1S/C20H36F2O/c1-2-7-17-11-13-18(14-12-17)8-6-15-20(21,22)16-23-19-9-4-3-5-10-19/h17-19H,2-16H2,1H3
InChIKeyRVAYIDLVHMLTNV-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane?
The IUPAC name of 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane (CID 57253877) is 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane.
What is the SMILES notation for 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane?
The canonical SMILES for 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane is CCCC1CCC(CCCC(F)(F)COC2CCCCC2)CC1.
What is the InChIKey of 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane?
The InChIKey is RVAYIDLVHMLTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F2O/c1-2-7-17-11-13-18(14-12-17)8-6-15-20(21,22)16-23-19-9-4-3-5-10-19/h17-19H,2-16H2,1H3.
What are the key properties of 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane?
1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane has a molecular weight of 330.50 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane is sourced from PubChem (CID 57253877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).