(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol

C15H19F4NO — CID 150857551

IUPAC(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)[C@H]1C[C@@H](c2cc(C(F)(F)F)ccc2F)CC[C@@H]1O
InChIInChI=1S/C15H19F4NO/c1-20(2)13-7-9(3-6-14(13)21)11-8-10(15(17,18)19)4-5-12(11)16/h4-5,8-9,13-14,21H,3,6-7H2,1-2H3/t9-,13-,14-/m0/s1
InChIKeyKRIBBFNMSXVAQB-HERUPUMHSA-N
MW305.31 g/mol
LogP3.40
Rot. Bonds2

About (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol

(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 150857551) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID150857551
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)[C@H]1C[C@@H](c2cc(C(F)(F)F)ccc2F)CC[C@@H]1O
InChIInChI=1S/C15H19F4NO/c1-20(2)13-7-9(3-6-14(13)21)11-8-10(15(17,18)19)4-5-12(11)16/h4-5,8-9,13-14,21H,3,6-7H2,1-2H3/t9-,13-,14-/m0/s1
InChIKeyKRIBBFNMSXVAQB-HERUPUMHSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 12549088
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CID 12549039
3-(Dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol
CID 12549105
4-Fluoromethylvesamicol
CID 197442
(1R,2R,4S)-4-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 44450422
3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 12549087
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride
CID 19823644
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol
CID 19823645
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823734
1-(Dimethylamino)-4,4,4-trifluoro-3-phenylbutan-2-ol
CID 20309071
3-(Diethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol
CID 20309074
1-[Bis(3-methylbutyl)amino]-4,4-bis(4-fluorophenyl)butan-2-ol
CID 21411075

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 150857551) is (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol is CN(C)[C@H]1C[C@@H](c2cc(C(F)(F)F)ccc2F)CC[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is KRIBBFNMSXVAQB-HERUPUMHSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-20(2)13-7-9(3-6-14(13)21)11-8-10(15(17,18)19)4-5-12(11)16/h4-5,8-9,13-14,21H,3,6-7H2,1-2H3/t9-,13-,14-/m0/s1.
What are the key properties of (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol?
(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 305.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 150857551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).