2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride

C8H8Cl2FNO2 — CID 175479963

IUPAC2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFNO2.ClH/c9-5-3-1-2-4(6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKeyRBYBILRAUZGFEH-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride

2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride (PubChem CID 175479963) has the molecular formula C8H8Cl2FNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
PubChem CID175479963
Molecular FormulaC8H8Cl2FNO2
Molecular Weight240.06 g/mol
Exact Mass238.99
IUPAC Name2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFNO2.ClH/c9-5-3-1-2-4(6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKeyRBYBILRAUZGFEH-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
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1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
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2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
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(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
[2-amino-2-(3-chloro-2-fluorophenyl)ethyl] carbamate;hydrochloride
CID 68646408
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
CID 114489141
4-amino-3-(3-chloro-2-fluorophenyl)hexanoic acid
CID 114489142
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
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CID 114488545

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride (CID 175479963) is 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride is Cl.NC(C(=O)O)c1cccc(Cl)c1F.
What is the InChIKey of 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride?
The InChIKey is RBYBILRAUZGFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2.ClH/c9-5-3-1-2-4(6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H.
What are the key properties of 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride?
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride has a molecular weight of 240.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 175479963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).