4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde

C10H12F6O — CID 174984499

IUPAC4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(C(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F6O/c11-8(9(12,13)10(14,15)16)7-3-1-6(5-17)2-4-7/h5-8H,1-4H2
InChIKeyVWHQRGWMTYKVFR-UHFFFAOYSA-N
MW262.19 g/mol
LogP3.53
Rot. Bonds3

About 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde

4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde (PubChem CID 174984499) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde
PubChem CID174984499
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(C(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F6O/c11-8(9(12,13)10(14,15)16)7-3-1-6(5-17)2-4-7/h5-8H,1-4H2
InChIKeyVWHQRGWMTYKVFR-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde (CID 174984499) is 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde is O=CC1CCC(C(F)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde?
The InChIKey is VWHQRGWMTYKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O/c11-8(9(12,13)10(14,15)16)7-3-1-6(5-17)2-4-7/h5-8H,1-4H2.
What are the key properties of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde?
4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde has a molecular weight of 262.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 174984499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).