trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol

C9H13F3O — CID 101388261

IUPACtrans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol
SMILESC=C([C@H]1CCCC[C@@H]1O)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-6(9(10,11)12)7-4-2-3-5-8(7)13/h7-8,13H,1-5H2/t7-,8+/m1/s1
InChIKeyBCDYNEWSLIGOJV-SFYZADRCSA-N
MW194.20 g/mol
LogP2.66
Rot. Bonds1

About trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol

trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol (PubChem CID 101388261) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol
PubChem CID101388261
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Nametrans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol
SMILESC=C([C@H]1CCCC[C@@H]1O)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-6(9(10,11)12)7-4-2-3-5-8(7)13/h7-8,13H,1-5H2/t7-,8+/m1/s1
InChIKeyBCDYNEWSLIGOJV-SFYZADRCSA-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 trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol (CID 101388261) is trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol is C=C([C@H]1CCCC[C@@H]1O)C(F)(F)F.
What is the InChIKey of trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol?
The InChIKey is BCDYNEWSLIGOJV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H13F3O/c1-6(9(10,11)12)7-4-2-3-5-8(7)13/h7-8,13H,1-5H2/t7-,8+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol?
trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-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 trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 101388261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).