1,1-difluoro-4-propan-2-yloxycyclohexane

C9H16F2O — CID 121261743

IUPAC1,1-difluoro-4-propan-2-yloxycyclohexane
SMILESCC(C)OC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c1-7(2)12-8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyCQWMDEDILLRGPZ-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.99
Rot. Bonds2

About 1,1-difluoro-4-propan-2-yloxycyclohexane

1,1-difluoro-4-propan-2-yloxycyclohexane (PubChem CID 121261743) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-propan-2-yloxycyclohexane
PubChem CID121261743
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-4-propan-2-yloxycyclohexane
SMILESCC(C)OC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c1-7(2)12-8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyCQWMDEDILLRGPZ-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 1,1-difluoro-4-propan-2-yloxycyclohexane?
The IUPAC name of 1,1-difluoro-4-propan-2-yloxycyclohexane (CID 121261743) is 1,1-difluoro-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1,1-difluoro-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1,1-difluoro-4-propan-2-yloxycyclohexane is CC(C)OC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-propan-2-yloxycyclohexane?
The InChIKey is CQWMDEDILLRGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7(2)12-8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-4-propan-2-yloxycyclohexane?
1,1-difluoro-4-propan-2-yloxycyclohexane has a molecular weight of 178.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 121261743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).