cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol

C7H11F3O — CID 7003990

IUPACcis-(1R,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-NTSWFWBYSA-N
MW168.16 g/mol
LogP2.10
Rot. Bonds

About cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol

cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 7003990) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID7003990
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Namecis-(1R,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-NTSWFWBYSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol (CID 7003990) is cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol is O[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WGZGFRDYYXKLRB-NTSWFWBYSA-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 cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol?
cis-(1R,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 cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 7003990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).