4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol

C10H18F3NO2 — CID 103788987

IUPAC4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESC[C@@H](CO)NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2/c1-7(6-15)14-8-2-4-9(16,5-3-8)10(11,12)13/h7-8,14-16H,2-6H2,1H3/t7-,8?,9?/m0/s1
InChIKeyJLAAWWZUIJEMGW-UEJVZZJDSA-N
MW241.25 g/mol
LogP1.19
Rot. Bonds3

About 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol

4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 103788987) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID103788987
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESC[C@@H](CO)NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2/c1-7(6-15)14-8-2-4-9(16,5-3-8)10(11,12)13/h7-8,14-16H,2-6H2,1H3/t7-,8?,9?/m0/s1
InChIKeyJLAAWWZUIJEMGW-UEJVZZJDSA-N
XLogP1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 115705446
2-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817249
(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
CID 114985646
2-(cyclododecylamino)propan-1-ol
CID 43499740
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
(2R)-2-[(4-methoxycyclohexyl)amino]propan-1-ol
CID 114983116
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724759
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol (CID 103788987) is 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol is C[C@@H](CO)NC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JLAAWWZUIJEMGW-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(6-15)14-8-2-4-9(16,5-3-8)10(11,12)13/h7-8,14-16H,2-6H2,1H3/t7-,8?,9?/m0/s1.
What are the key properties of 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol?
4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 103788987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).