trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol

C10H13F3O — CID 23237285

IUPACtrans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol
SMILESC=C[C@@]1(O)CCCC[C@@H]1C(F)=C(F)F
InChIInChI=1S/C10H13F3O/c1-2-10(14)6-4-3-5-7(10)8(11)9(12)13/h2,7,14H,1,3-6H2/t7-,10-/m1/s1
InChIKeyNCHROOFDBMJWSQ-GMSGAONNSA-N
MW206.21 g/mol
LogP3.17
Rot. Bonds2

About trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol

trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol (PubChem CID 23237285) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol
PubChem CID23237285
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Nametrans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol
SMILESC=C[C@@]1(O)CCCC[C@@H]1C(F)=C(F)F
InChIInChI=1S/C10H13F3O/c1-2-10(14)6-4-3-5-7(10)8(11)9(12)13/h2,7,14H,1,3-6H2/t7-,10-/m1/s1
InChIKeyNCHROOFDBMJWSQ-GMSGAONNSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.17
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,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol (CID 23237285) is trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol is C=C[C@@]1(O)CCCC[C@@H]1C(F)=C(F)F.
What is the InChIKey of trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol?
The InChIKey is NCHROOFDBMJWSQ-GMSGAONNSA-N. The full InChI is InChI=1S/C10H13F3O/c1-2-10(14)6-4-3-5-7(10)8(11)9(12)13/h2,7,14H,1,3-6H2/t7-,10-/m1/s1.
What are the key properties of trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol?
trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol has a molecular weight of 206.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol is sourced from PubChem (CID 23237285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).