1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol

C10H13F3O — CID 64758857

IUPAC1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
SMILESC#CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3O/c1-2-5-9(14)6-3-4-8(7-9)10(11,12)13/h1,8,14H,3-7H2
InChIKeyLIRIYYCFKFCQPR-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.49
Rot. Bonds1

About 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol

1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64758857) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64758857
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
SMILESC#CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3O/c1-2-5-9(14)6-3-4-8(7-9)10(11,12)13/h1,8,14H,3-7H2
InChIKeyLIRIYYCFKFCQPR-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol (CID 64758857) is 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol is C#CCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LIRIYYCFKFCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-2-5-9(14)6-3-4-8(7-9)10(11,12)13/h1,8,14H,3-7H2.
What are the key properties of 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol?
1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 206.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64758857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).