[5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol

C9H13F3O — CID 91009691

IUPAC[5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol
SMILESC=C1CCC(C(F)(F)F)C(CO)C1
InChIInChI=1S/C9H13F3O/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h7-8,13H,1-5H2
InChIKeyNJAMGRMFZSQPRS-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.51
Rot. Bonds1

About [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol

[5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 91009691) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID91009691
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name[5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol
SMILESC=C1CCC(C(F)(F)F)C(CO)C1
InChIInChI=1S/C9H13F3O/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h7-8,13H,1-5H2
InChIKeyNJAMGRMFZSQPRS-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.51
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 [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol (CID 91009691) is [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol is C=C1CCC(C(F)(F)F)C(CO)C1.
What is the InChIKey of [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is NJAMGRMFZSQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h7-8,13H,1-5H2.
What are the key properties of [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol?
[5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 194.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methylidene-2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 91009691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).