2,2-difluoropropoxycyclohexane

C9H16F2O — CID 123888457

IUPAC2,2-difluoropropoxycyclohexane
SMILESCC(F)(F)COC1CCCCC1
InChIInChI=1S/C9H16F2O/c1-9(10,11)7-12-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyNDOOXFJCZNOIDB-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.99
Rot. Bonds3

About 2,2-difluoropropoxycyclohexane

2,2-difluoropropoxycyclohexane (PubChem CID 123888457) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 2,2-difluoropropoxycyclohexane.

Molecular Properties

Compound Name2,2-difluoropropoxycyclohexane
PubChem CID123888457
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name2,2-difluoropropoxycyclohexane
SMILESCC(F)(F)COC1CCCCC1
InChIInChI=1S/C9H16F2O/c1-9(10,11)7-12-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyNDOOXFJCZNOIDB-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropoxycyclohexane?
The IUPAC name of 2,2-difluoropropoxycyclohexane (CID 123888457) is 2,2-difluoropropoxycyclohexane.
What is the SMILES notation for 2,2-difluoropropoxycyclohexane?
The canonical SMILES for 2,2-difluoropropoxycyclohexane is CC(F)(F)COC1CCCCC1.
What is the InChIKey of 2,2-difluoropropoxycyclohexane?
The InChIKey is NDOOXFJCZNOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-9(10,11)7-12-8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 2,2-difluoropropoxycyclohexane?
2,2-difluoropropoxycyclohexane has a molecular weight of 178.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropoxycyclohexane is sourced from PubChem (CID 123888457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).