(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid

C10H10F3NO2 — CID 93280035

IUPAC(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCN[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-14-8(9(15)16)6-2-4-7(5-3-6)10(11,12)13/h2-5,8,14H,1H3,(H,15,16)/t8-/m1/s1
InChIKeyWUNPURZYXCZCPK-MRVPVSSYSA-N
MW233.19 g/mol
LogP2.05
Rot. Bonds3

About (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid

(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 93280035) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID93280035
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCN[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-14-8(9(15)16)6-2-4-7(5-3-6)10(11,12)13/h2-5,8,14H,1H3,(H,15,16)/t8-/m1/s1
InChIKeyWUNPURZYXCZCPK-MRVPVSSYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105005111
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 25417845
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
2-(4-ethylsulfanylphenyl)-2-(methylamino)acetic acid
CID 82473470
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
(2S)-2-amino-3,3-bis[4-(trifluoromethyl)phenyl]propanoic acid
CID 25107037
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
methyl 3-isocyano-3-[4-(trifluoromethyl)phenyl]propanoate
CID 2759911
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 63702709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 93280035) is (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid is CN[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is WUNPURZYXCZCPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14-8(9(15)16)6-2-4-7(5-3-6)10(11,12)13/h2-5,8,14H,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 233.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 93280035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).