2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride

C4H8ClF2NO2 — CID 20508338

IUPAC2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride
SMILESCl.NCC(C(=O)O)C(F)F
InChIInChI=1S/C4H7F2NO2.ClH/c5-3(6)2(1-7)4(8)9;/h2-3H,1,7H2,(H,8,9);1H
InChIKeyMLNCBAPSXVZMQP-UHFFFAOYSA-N
MW175.56 g/mol
LogP0.33
Rot. Bonds3

About 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride

2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride (PubChem CID 20508338) has the molecular formula C4H8ClF2NO2 and a molecular weight of 175.56 g/mol. Its IUPAC name is 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride
PubChem CID20508338
Molecular FormulaC4H8ClF2NO2
Molecular Weight175.56 g/mol
Exact Mass175.02
IUPAC Name2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride
SMILESCl.NCC(C(=O)O)C(F)F
InChIInChI=1S/C4H7F2NO2.ClH/c5-3(6)2(1-7)4(8)9;/h2-3H,1,7H2,(H,8,9);1H
InChIKeyMLNCBAPSXVZMQP-UHFFFAOYSA-N
XLogP0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.56
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride (CID 20508338) is 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride is Cl.NCC(C(=O)O)C(F)F.
What is the InChIKey of 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride?
The InChIKey is MLNCBAPSXVZMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2.ClH/c5-3(6)2(1-7)4(8)9;/h2-3H,1,7H2,(H,8,9);1H.
What are the key properties of 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride?
2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride has a molecular weight of 175.56 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,3-difluoropropanoic acid;hydrochloride is sourced from PubChem (CID 20508338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).