1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane

C18H32F2O — CID 57274192

IUPAC1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane
SMILESCCCC1CCC(C(F)(F)CCOC2CCCCC2)CC1
InChIInChI=1S/C18H32F2O/c1-2-6-15-9-11-16(12-10-15)18(19,20)13-14-21-17-7-4-3-5-8-17/h15-17H,2-14H2,1H3
InChIKeyZPMPVPOWFMHMPV-UHFFFAOYSA-N
MW302.45 g/mol
LogP5.97
Rot. Bonds7

About 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane

1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane (PubChem CID 57274192) has the molecular formula C18H32F2O and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane
PubChem CID57274192
Molecular FormulaC18H32F2O
Molecular Weight302.45 g/mol
Exact Mass302.24
IUPAC Name1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane
SMILESCCCC1CCC(C(F)(F)CCOC2CCCCC2)CC1
InChIInChI=1S/C18H32F2O/c1-2-6-15-9-11-16(12-10-15)18(19,20)13-14-21-17-7-4-3-5-8-17/h15-17H,2-14H2,1H3
InChIKeyZPMPVPOWFMHMPV-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.45
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
CID 46242411
Difluorothromboxane
CID 129674200
Ethylcyclohexylmethylether
CID 21252154
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane?
The IUPAC name of 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane (CID 57274192) is 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane.
What is the SMILES notation for 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane?
The canonical SMILES for 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane is CCCC1CCC(C(F)(F)CCOC2CCCCC2)CC1.
What is the InChIKey of 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane?
The InChIKey is ZPMPVPOWFMHMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2O/c1-2-6-15-9-11-16(12-10-15)18(19,20)13-14-21-17-7-4-3-5-8-17/h15-17H,2-14H2,1H3.
What are the key properties of 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane?
1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane has a molecular weight of 302.45 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane is sourced from PubChem (CID 57274192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).