4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride

C8H11F3O2 — CID 134421173

IUPAC4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride
SMILESCOC1(C(=O)F)CCC(F)(F)CC1
InChIInChI=1S/C8H11F3O2/c1-13-7(6(9)12)2-4-8(10,11)5-3-7/h2-5H2,1H3
InChIKeyKCJSOLZBQPCGHP-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.08
Rot. Bonds2

About 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride

4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride (PubChem CID 134421173) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride.

Molecular Properties

Compound Name4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride
PubChem CID134421173
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride
SMILESCOC1(C(=O)F)CCC(F)(F)CC1
InChIInChI=1S/C8H11F3O2/c1-13-7(6(9)12)2-4-8(10,11)5-3-7/h2-5H2,1H3
InChIKeyKCJSOLZBQPCGHP-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride?
The IUPAC name of 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride (CID 134421173) is 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride.
What is the SMILES notation for 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride?
The canonical SMILES for 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride is COC1(C(=O)F)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride?
The InChIKey is KCJSOLZBQPCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-13-7(6(9)12)2-4-8(10,11)5-3-7/h2-5H2,1H3.
What are the key properties of 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride?
4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride has a molecular weight of 196.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methoxycyclohexane-1-carbonyl fluoride is sourced from PubChem (CID 134421173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).