1,2,2,3,3,3-hexafluoropropoxycyclohexane

C9H12F6O — CID 54233939

IUPAC1,2,2,3,3,3-hexafluoropropoxycyclohexane
SMILESFC(OC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c10-7(8(11,12)9(13,14)15)16-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeySKLWYZXBMCOPQT-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.83
Rot. Bonds3

About 1,2,2,3,3,3-hexafluoropropoxycyclohexane

1,2,2,3,3,3-hexafluoropropoxycyclohexane (PubChem CID 54233939) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is 1,2,2,3,3,3-hexafluoropropoxycyclohexane.

Molecular Properties

Compound Name1,2,2,3,3,3-hexafluoropropoxycyclohexane
PubChem CID54233939
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name1,2,2,3,3,3-hexafluoropropoxycyclohexane
SMILESFC(OC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c10-7(8(11,12)9(13,14)15)16-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeySKLWYZXBMCOPQT-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,3-hexafluoropropoxycyclohexane?
The IUPAC name of 1,2,2,3,3,3-hexafluoropropoxycyclohexane (CID 54233939) is 1,2,2,3,3,3-hexafluoropropoxycyclohexane.
What is the SMILES notation for 1,2,2,3,3,3-hexafluoropropoxycyclohexane?
The canonical SMILES for 1,2,2,3,3,3-hexafluoropropoxycyclohexane is FC(OC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,2,3,3,3-hexafluoropropoxycyclohexane?
The InChIKey is SKLWYZXBMCOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c10-7(8(11,12)9(13,14)15)16-6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of 1,2,2,3,3,3-hexafluoropropoxycyclohexane?
1,2,2,3,3,3-hexafluoropropoxycyclohexane has a molecular weight of 250.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,3-hexafluoropropoxycyclohexane is sourced from PubChem (CID 54233939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).