4-ethyl-1,1-difluorocyclohexane

C8H14F2 — CID 54772461

IUPAC4-ethyl-1,1-difluorocyclohexane
SMILESCCC1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2/c1-2-7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3
InChIKeyJDPBWSJODBUYKA-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.22
Rot. Bonds1

About 4-ethyl-1,1-difluorocyclohexane

4-ethyl-1,1-difluorocyclohexane (PubChem CID 54772461) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-ethyl-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-ethyl-1,1-difluorocyclohexane
PubChem CID54772461
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name4-ethyl-1,1-difluorocyclohexane
SMILESCCC1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2/c1-2-7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3
InChIKeyJDPBWSJODBUYKA-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-difluorocyclohexane?
The IUPAC name of 4-ethyl-1,1-difluorocyclohexane (CID 54772461) is 4-ethyl-1,1-difluorocyclohexane.
What is the SMILES notation for 4-ethyl-1,1-difluorocyclohexane?
The canonical SMILES for 4-ethyl-1,1-difluorocyclohexane is CCC1CCC(F)(F)CC1.
What is the InChIKey of 4-ethyl-1,1-difluorocyclohexane?
The InChIKey is JDPBWSJODBUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-2-7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3.
What are the key properties of 4-ethyl-1,1-difluorocyclohexane?
4-ethyl-1,1-difluorocyclohexane has a molecular weight of 148.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-difluorocyclohexane is sourced from PubChem (CID 54772461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).