(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol

C16H20F3NO2 — CID 84587736

IUPAC(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)15(22)7-5-11(6-8-15)20-14-12-4-2-1-3-10(12)9-13(14)21/h1-4,11,13-14,20-22H,5-9H2/t11?,13-,14+,15?/m0/s1
InChIKeyRWWUYIWKCJLPKK-PIBLMLOJSA-N
MW315.33 g/mol
LogP2.47
Rot. Bonds2

About (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 84587736) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID84587736
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)15(22)7-5-11(6-8-15)20-14-12-4-2-1-3-10(12)9-13(14)21/h1-4,11,13-14,20-22H,5-9H2/t11?,13-,14+,15?/m0/s1
InChIKeyRWWUYIWKCJLPKK-PIBLMLOJSA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

rac-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11030622
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 22874977
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
2-(Indan-1-ylamino)-cyclohexanol
CID 15925776
US12492163, Name (14)
CID 166858284
(1S,2R)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155820296
(1R,2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155858608
N-(2(R)-hydroxy-1(S)-indanyl)-3-phenylpropaneamide
CID 22857039
(2R*,3R*)-3-[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 31225091
(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814868
4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 75391479
3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]cyclohexane-1-carbonitrile
CID 132970560

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol (CID 84587736) is (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1NC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is RWWUYIWKCJLPKK-PIBLMLOJSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)15(22)7-5-11(6-8-15)20-14-12-4-2-1-3-10(12)9-13(14)21/h1-4,11,13-14,20-22H,5-9H2/t11?,13-,14+,15?/m0/s1.
What are the key properties of (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 315.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 84587736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).