(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide

C11H13F3N2O2 — CID 166708455

IUPAC(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide
SMILESC[C@](N)(C(N)=O)[C@H](c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-10(16,9(15)18)8(11(12,13)14)6-2-4-7(17)5-3-6/h2-5,8,17H,16H2,1H3,(H2,15,18)/t8-,10+/m0/s1
InChIKeyHNPVCHVFMPYNJK-WCBMZHEXSA-N
MW262.23 g/mol
LogP1.24
Rot. Bonds3

About (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide

(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide (PubChem CID 166708455) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide
PubChem CID166708455
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide
SMILESC[C@](N)(C(N)=O)[C@H](c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-10(16,9(15)18)8(11(12,13)14)6-2-4-7(17)5-3-6/h2-5,8,17H,16H2,1H3,(H2,15,18)/t8-,10+/m0/s1
InChIKeyHNPVCHVFMPYNJK-WCBMZHEXSA-N
XLogP1.24
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 146661615
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenol
CID 157443739
4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
CID 175410360
3-(4-cyanophenyl)-4,4,4-trifluoro-2-hydroxy-2-methylbutanamide
CID 122640222
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
CID 68535967
(2S)-2-amino-2,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 170341128
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
CID 163467451
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
CID 178035855
ditert-butyl 2-[amino-(4-hydroxyphenyl)methyl]propanedioate
CID 174570665

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide?
The IUPAC name of (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide (CID 166708455) is (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide.
What is the SMILES notation for (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide?
The canonical SMILES for (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide is C[C@](N)(C(N)=O)[C@H](c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide?
The InChIKey is HNPVCHVFMPYNJK-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(16,9(15)18)8(11(12,13)14)6-2-4-7(17)5-3-6/h2-5,8,17H,16H2,1H3,(H2,15,18)/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide?
(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide has a molecular weight of 262.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 166708455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).