trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol

C7H11F3O — CID 7003989

IUPACtrans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2/t5-,6-/m0/s1
InChIKeyWGZGFRDYYXKLRB-WDSKDSINSA-N
MW168.16 g/mol
LogP2.10
Rot. Bonds

About trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol

trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 7003989) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID7003989
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Nametrans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2/t5-,6-/m0/s1
InChIKeyWGZGFRDYYXKLRB-WDSKDSINSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylcyclohexanol
CID 11566
Npc48932
CID 642633
4-(Trifluoromethyl)cyclohexan-1-ol
CID 2779765
(1S,3R)-3-methylcyclohexan-1-ol
CID 229503
trans-3-Methylcyclohexanol
CID 641629
2-(Trifluoromethyl)cyclohexanol
CID 2777485
3-(Trifluoromethyl)cyclohexan-1-ol
CID 2777487
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
cis-3-METHYLCYCLOHEXANOL
CID 21599
(4,4-Difluorocyclohexyl)methanol
CID 21184133
[4-(Trifluoromethyl)cyclohexyl]methanol
CID 44228198
7,7-Difluorobicyclo[4.1.0]heptan-2-ol
CID 50990649

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol (CID 7003989) is trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol is O[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WGZGFRDYYXKLRB-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 7003989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).