2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid

C10H8ClF4NO2 — CID 54892847

IUPAC2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClF4NO2/c11-5-2-1-3-6(12)7(5)8(9(17)18)16-4-10(13,14)15/h1-3,8,16H,4H2,(H,17,18)
InChIKeyHNFQLBOORKXAHA-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid

2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 54892847) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID54892847
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClF4NO2/c11-5-2-1-3-6(12)7(5)8(9(17)18)16-4-10(13,14)15/h1-3,8,16H,4H2,(H,17,18)
InChIKeyHNFQLBOORKXAHA-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60991180
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120
(2R)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088122
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892942
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474
2-(3-fluoro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 63647938
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid (CID 54892847) is 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)C(NCC(F)(F)F)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is HNFQLBOORKXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO2/c11-5-2-1-3-6(12)7(5)8(9(17)18)16-4-10(13,14)15/h1-3,8,16H,4H2,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 285.62 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 54892847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).