1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol

C9H11F3O — CID 3631002

IUPAC1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CC(F)(F)F)CCCCC1
InChIInChI=1S/C9H11F3O/c10-9(11,12)7-6-8(13)4-2-1-3-5-8/h13H,1-5H2
InChIKeyVXNGVDLIHBMZNH-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.25
Rot. Bonds

About 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol

1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol (PubChem CID 3631002) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol
PubChem CID3631002
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CC(F)(F)F)CCCCC1
InChIInChI=1S/C9H11F3O/c10-9(11,12)7-6-8(13)4-2-1-3-5-8/h13H,1-5H2
InChIKeyVXNGVDLIHBMZNH-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.25
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-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol (CID 3631002) is 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol is OC1(C#CC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is VXNGVDLIHBMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c10-9(11,12)7-6-8(13)4-2-1-3-5-8/h13H,1-5H2.
What are the key properties of 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol?
1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 192.18 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoroprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 3631002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).