1,4-bis(1,2-difluoroethyl)cyclohexane

C10H16F4 — CID 91807449

IUPAC1,4-bis(1,2-difluoroethyl)cyclohexane
SMILESFCC(F)C1CCC(C(F)CF)CC1
InChIInChI=1S/C10H16F4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h7-10H,1-6H2
InChIKeyGBWIRIIXGBMPLM-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.41
Rot. Bonds4

About 1,4-bis(1,2-difluoroethyl)cyclohexane

1,4-bis(1,2-difluoroethyl)cyclohexane (PubChem CID 91807449) has the molecular formula C10H16F4 and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,4-bis(1,2-difluoroethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(1,2-difluoroethyl)cyclohexane
PubChem CID91807449
Molecular FormulaC10H16F4
Molecular Weight212.23 g/mol
Exact Mass212.12
IUPAC Name1,4-bis(1,2-difluoroethyl)cyclohexane
SMILESFCC(F)C1CCC(C(F)CF)CC1
InChIInChI=1S/C10H16F4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h7-10H,1-6H2
InChIKeyGBWIRIIXGBMPLM-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,2-difluoroethyl)cyclohexane?
The IUPAC name of 1,4-bis(1,2-difluoroethyl)cyclohexane (CID 91807449) is 1,4-bis(1,2-difluoroethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(1,2-difluoroethyl)cyclohexane?
The canonical SMILES for 1,4-bis(1,2-difluoroethyl)cyclohexane is FCC(F)C1CCC(C(F)CF)CC1.
What is the InChIKey of 1,4-bis(1,2-difluoroethyl)cyclohexane?
The InChIKey is GBWIRIIXGBMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h7-10H,1-6H2.
What are the key properties of 1,4-bis(1,2-difluoroethyl)cyclohexane?
1,4-bis(1,2-difluoroethyl)cyclohexane has a molecular weight of 212.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1,2-difluoroethyl)cyclohexane is sourced from PubChem (CID 91807449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).