(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate

C9H8F3NO2 — CID 7128415

IUPAC(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate
SMILES[NH3+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m1/s1
InChIKeyFANMQHUKZBBELZ-SSDOTTSWSA-N
MW219.16 g/mol
LogP-0.26
Rot. Bonds2

About (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate

(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 7128415) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID7128415
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate
SMILES[NH3+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m1/s1
InChIKeyFANMQHUKZBBELZ-SSDOTTSWSA-N
XLogP-0.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bismuth tris(2,2,2-tris[4-(trifluoromethyl)phenyl]acetate)
CID 173320339
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 57421218
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86315213
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
2-nitro-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 22285871
(1R,2S,4S,5R)-1,5-dihydroxy-2,4-dimethyl-1,5-bis[4-(trifluoromethyl)phenyl]pentan-3-one
CID 177451871
(2S)-2-amino-3,3-bis[4-(trifluoromethyl)phenyl]propanoic acid
CID 25107037
(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid
CID 125455508
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate (CID 7128415) is (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate is [NH3+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is FANMQHUKZBBELZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate?
(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 219.16 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 7128415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).