1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane

C15H24F2O — CID 19842846

IUPAC1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane
SMILESCOC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C15H24F2O/c1-18-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16)17/h10-14H,2-9H2,1H3
InChIKeyUKDXMOJTDMQFGM-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.78
Rot. Bonds3

About 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane

1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane (PubChem CID 19842846) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane
PubChem CID19842846
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane
SMILESCOC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C15H24F2O/c1-18-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16)17/h10-14H,2-9H2,1H3
InChIKeyUKDXMOJTDMQFGM-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane (CID 19842846) is 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane is COC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane?
The InChIKey is UKDXMOJTDMQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-18-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16)17/h10-14H,2-9H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane?
1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane has a molecular weight of 258.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-(4-methoxycyclohexyl)cyclohexane is sourced from PubChem (CID 19842846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).