2-amino-4,4-difluorooctanoic acid;hydrobromide

C8H16BrF2NO2 — CID 140532073

IUPAC2-amino-4,4-difluorooctanoic acid;hydrobromide
SMILESBr.CCCCC(F)(F)CC(N)C(=O)O
InChIInChI=1S/C8H15F2NO2.BrH/c1-2-3-4-8(9,10)5-6(11)7(12)13;/h6H,2-5,11H2,1H3,(H,12,13);1H
InChIKeyYEDKZNWKSGGLEN-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.19
Rot. Bonds6

About 2-amino-4,4-difluorooctanoic acid;hydrobromide

2-amino-4,4-difluorooctanoic acid;hydrobromide (PubChem CID 140532073) has the molecular formula C8H16BrF2NO2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-amino-4,4-difluorooctanoic acid;hydrobromide.

Molecular Properties

Compound Name2-amino-4,4-difluorooctanoic acid;hydrobromide
PubChem CID140532073
Molecular FormulaC8H16BrF2NO2
Molecular Weight276.12 g/mol
Exact Mass275.03
IUPAC Name2-amino-4,4-difluorooctanoic acid;hydrobromide
SMILESBr.CCCCC(F)(F)CC(N)C(=O)O
InChIInChI=1S/C8H15F2NO2.BrH/c1-2-3-4-8(9,10)5-6(11)7(12)13;/h6H,2-5,11H2,1H3,(H,12,13);1H
InChIKeyYEDKZNWKSGGLEN-UHFFFAOYSA-N
XLogP2.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141318233
2-amino-4-hydroxy-4-propylheptanoic acid
CID 14320933
2-amino-5,5-difluoroheptanoic acid;hydrochloride
CID 87211692
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
5,5-difluorononane
CID 21410163
2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 129061110
(4S)-2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 167281606
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
2-amino-3-sulfanylpropanoic acid;hexane
CID 175251552
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluorooctanoic acid;hydrobromide?
The IUPAC name of 2-amino-4,4-difluorooctanoic acid;hydrobromide (CID 140532073) is 2-amino-4,4-difluorooctanoic acid;hydrobromide.
What is the SMILES notation for 2-amino-4,4-difluorooctanoic acid;hydrobromide?
The canonical SMILES for 2-amino-4,4-difluorooctanoic acid;hydrobromide is Br.CCCCC(F)(F)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4,4-difluorooctanoic acid;hydrobromide?
The InChIKey is YEDKZNWKSGGLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2.BrH/c1-2-3-4-8(9,10)5-6(11)7(12)13;/h6H,2-5,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-4,4-difluorooctanoic acid;hydrobromide?
2-amino-4,4-difluorooctanoic acid;hydrobromide has a molecular weight of 276.12 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluorooctanoic acid;hydrobromide is sourced from PubChem (CID 140532073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).