2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol

C9H13F3O — CID 67968242

IUPAC2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-8(13,9(10,11)12)7-5-3-2-4-6-7/h2-3,7,13H,4-6H2,1H3
InChIKeyPECMVOGYQNIDLR-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.66
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol

2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol (PubChem CID 67968242) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol
PubChem CID67968242
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-8(13,9(10,11)12)7-5-3-2-4-6-7/h2-3,7,13H,4-6H2,1H3
InChIKeyPECMVOGYQNIDLR-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol (CID 67968242) is 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol is CC(O)(C1CC=CCC1)C(F)(F)F.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol?
The InChIKey is PECMVOGYQNIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-8(13,9(10,11)12)7-5-3-2-4-6-7/h2-3,7,13H,4-6H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol?
2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol has a molecular weight of 194.20 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 67968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).