4-amino-2,2-difluoropentanedioic acid;hydrochloride

C5H8ClF2NO4 — CID 56926836

IUPAC4-amino-2,2-difluoropentanedioic acid;hydrochloride
SMILESCl.NC(CC(F)(F)C(=O)O)C(=O)O
InChIInChI=1S/C5H7F2NO4.ClH/c6-5(7,4(11)12)1-2(8)3(9)10;/h2H,1,8H2,(H,9,10)(H,11,12);1H
InChIKeySIXQCKQXDHVCRY-UHFFFAOYSA-N
MW219.57 g/mol
LogP-0.07
Rot. Bonds4

About 4-amino-2,2-difluoropentanedioic acid;hydrochloride

4-amino-2,2-difluoropentanedioic acid;hydrochloride (PubChem CID 56926836) has the molecular formula C5H8ClF2NO4 and a molecular weight of 219.57 g/mol. Its IUPAC name is 4-amino-2,2-difluoropentanedioic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-2,2-difluoropentanedioic acid;hydrochloride
PubChem CID56926836
Molecular FormulaC5H8ClF2NO4
Molecular Weight219.57 g/mol
Exact Mass219.01
IUPAC Name4-amino-2,2-difluoropentanedioic acid;hydrochloride
SMILESCl.NC(CC(F)(F)C(=O)O)C(=O)O
InChIInChI=1S/C5H7F2NO4.ClH/c6-5(7,4(11)12)1-2(8)3(9)10;/h2H,1,8H2,(H,9,10)(H,11,12);1H
InChIKeySIXQCKQXDHVCRY-UHFFFAOYSA-N
XLogP-0.07
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.57
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 33032
CID 33032
CID 23327
CID 23327
CID 611
CID 611
CID 2723891
CID 2723891
CID 23689119
CID 23689119
CID 23672308
CID 23672308
CID 88747398
CID 88747398
CID 44272391
CID 44272391
CID 23695977
CID 23695977
CID 139054390
CID 139054390
CID 23666328
CID 23666328
CID 23676143
CID 23676143

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-difluoropentanedioic acid;hydrochloride?
The IUPAC name of 4-amino-2,2-difluoropentanedioic acid;hydrochloride (CID 56926836) is 4-amino-2,2-difluoropentanedioic acid;hydrochloride.
What is the SMILES notation for 4-amino-2,2-difluoropentanedioic acid;hydrochloride?
The canonical SMILES for 4-amino-2,2-difluoropentanedioic acid;hydrochloride is Cl.NC(CC(F)(F)C(=O)O)C(=O)O.
What is the InChIKey of 4-amino-2,2-difluoropentanedioic acid;hydrochloride?
The InChIKey is SIXQCKQXDHVCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO4.ClH/c6-5(7,4(11)12)1-2(8)3(9)10;/h2H,1,8H2,(H,9,10)(H,11,12);1H.
What are the key properties of 4-amino-2,2-difluoropentanedioic acid;hydrochloride?
4-amino-2,2-difluoropentanedioic acid;hydrochloride has a molecular weight of 219.57 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-difluoropentanedioic acid;hydrochloride is sourced from PubChem (CID 56926836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).