(1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

C14H17F4NO2 — CID 69397981

IUPAC(1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCOc1c(F)ccc2c1C(C)(C)C[C@@](O)(C(F)(F)F)[C@H]2N
InChIInChI=1S/C14H17F4NO2/c1-12(2)6-13(20,14(16,17)18)11(19)7-4-5-8(15)10(21-3)9(7)12/h4-5,11,20H,6,19H2,1-3H3/t11-,13-/m0/s1
InChIKeyVAWIZNGABUAQOL-AAEUAGOBSA-N
MW307.29 g/mol
LogP2.81
Rot. Bonds1

About (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

(1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (PubChem CID 69397981) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
PubChem CID69397981
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name(1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCOc1c(F)ccc2c1C(C)(C)C[C@@](O)(C(F)(F)F)[C@H]2N
InChIInChI=1S/C14H17F4NO2/c1-12(2)6-13(20,14(16,17)18)11(19)7-4-5-8(15)10(21-3)9(7)12/h4-5,11,20H,6,19H2,1-3H3/t11-,13-/m0/s1
InChIKeyVAWIZNGABUAQOL-AAEUAGOBSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol with MolForge

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Related Compounds

1-[(2-amino-8-fluoroquinolin-5-yl)amino]-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 68679832
N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide
CID 58893238
6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 91501634
(1S,2R)-1-[(7,8-difluoro-2-methylquinazolin-5-yl)amino]-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 87539105
1-[(7,8-difluoro-2-methylquinazolin-5-yl)amino]-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 87539107
5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-8-fluoro-1H-quinolin-2-one
CID 68681707
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785
(1R,3R,4S,5R)-4-(3,4-difluoro-2-methoxyphenyl)-5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide
CID 170972704
1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
CID 58950903
5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one
CID 66657386
5-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55294576
4-[[8-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-2,3-dihydroisoindol-1-one
CID 68680205

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The IUPAC name of (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (CID 69397981) is (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The canonical SMILES for (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is COc1c(F)ccc2c1C(C)(C)C[C@@](O)(C(F)(F)F)[C@H]2N.
What is the InChIKey of (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The InChIKey is VAWIZNGABUAQOL-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-12(2)6-13(20,14(16,17)18)11(19)7-4-5-8(15)10(21-3)9(7)12/h4-5,11,20H,6,19H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
(1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol has a molecular weight of 307.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is sourced from PubChem (CID 69397981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).