4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol

C9H10F6O — CID 88882696

IUPAC4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol
SMILESC=C1CCC(O)C(C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C9H10F6O/c1-4-2-3-5(16)7(9(13,14)15)6(4)8(10,11)12/h5-7,16H,1-3H2
InChIKeyWFRAMJDLJBTMNY-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.05
Rot. Bonds

About 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol

4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol (PubChem CID 88882696) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol
PubChem CID88882696
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol
SMILESC=C1CCC(O)C(C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C9H10F6O/c1-4-2-3-5(16)7(9(13,14)15)6(4)8(10,11)12/h5-7,16H,1-3H2
InChIKeyWFRAMJDLJBTMNY-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol (CID 88882696) is 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol is C=C1CCC(O)C(C(F)(F)F)C1C(F)(F)F.
What is the InChIKey of 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WFRAMJDLJBTMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O/c1-4-2-3-5(16)7(9(13,14)15)6(4)8(10,11)12/h5-7,16H,1-3H2.
What are the key properties of 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol?
4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 248.17 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,3-bis(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 88882696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).