1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

C16H22F4 — CID 15906621

IUPAC1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESFC(F)=CC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H22F4/c17-15(18)9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-16(19)20/h9-14H,1-8H2
InChIKeyPRHYVLWXGNOJBK-UHFFFAOYSA-N
MW290.34 g/mol
LogP6.16
Rot. Bonds3

About 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (PubChem CID 15906621) has the molecular formula C16H22F4 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
PubChem CID15906621
Molecular FormulaC16H22F4
Molecular Weight290.34 g/mol
Exact Mass290.17
IUPAC Name1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESFC(F)=CC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C16H22F4/c17-15(18)9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-16(19)20/h9-14H,1-8H2
InChIKeyPRHYVLWXGNOJBK-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.34
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (CID 15906621) is 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is FC(F)=CC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The InChIKey is PRHYVLWXGNOJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4/c17-15(18)9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-16(19)20/h9-14H,1-8H2.
What are the key properties of 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane has a molecular weight of 290.34 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 15906621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).