cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol

C7H11F3O2 — CID 99986355

IUPACcis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
SMILESO[C@@H]1CC(C(F)(F)F)C[C@H](O)C1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4-6,11-12H,1-3H2/t4?,5-,6+
InChIKeyDXOUYJLBIRRNDH-GOHHTPAQSA-N
MW184.16 g/mol
LogP1.07
Rot. Bonds

About cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol

cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol (PubChem CID 99986355) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
PubChem CID99986355
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Namecis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
SMILESO[C@@H]1CC(C(F)(F)F)C[C@H](O)C1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4-6,11-12H,1-3H2/t4?,5-,6+
InChIKeyDXOUYJLBIRRNDH-GOHHTPAQSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 142150919
3-(1,1-difluoroethyl)cyclobutan-1-ol
CID 155891385
methyl (1S,3S,5R)-3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate
CID 124744890
methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate
CID 112757544
cyclobutane-1,3-diol
CID 175518786
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride
CID 163339172
4-(trifluoromethyl)cyclohexan-1-ol
CID 129011106
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol
CID 90213801
6-(trifluoromethyl)spiro[3.3]heptan-2-ol
CID 167729964
cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 27808394

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol?
The IUPAC name of cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol (CID 99986355) is cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol.
What is the SMILES notation for cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol?
The canonical SMILES for cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol is O[C@@H]1CC(C(F)(F)F)C[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol?
The InChIKey is DXOUYJLBIRRNDH-GOHHTPAQSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4-6,11-12H,1-3H2/t4?,5-,6+.
What are the key properties of cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol?
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol has a molecular weight of 184.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol is sourced from PubChem (CID 99986355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).