methyl 4-amino-5,5-difluoropentanoate;hydrochloride

C6H12ClF2NO2 — CID 105455860

IUPACmethyl 4-amino-5,5-difluoropentanoate;hydrochloride
SMILESCOC(=O)CCC(N)C(F)F.Cl
InChIInChI=1S/C6H11F2NO2.ClH/c1-11-5(10)3-2-4(9)6(7)8;/h4,6H,2-3,9H2,1H3;1H
InChIKeyUBGSZGPYZRTURK-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.95
Rot. Bonds4

About methyl 4-amino-5,5-difluoropentanoate;hydrochloride

methyl 4-amino-5,5-difluoropentanoate;hydrochloride (PubChem CID 105455860) has the molecular formula C6H12ClF2NO2 and a molecular weight of 203.62 g/mol. Its IUPAC name is methyl 4-amino-5,5-difluoropentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-5,5-difluoropentanoate;hydrochloride
PubChem CID105455860
Molecular FormulaC6H12ClF2NO2
Molecular Weight203.62 g/mol
Exact Mass203.05
IUPAC Namemethyl 4-amino-5,5-difluoropentanoate;hydrochloride
SMILESCOC(=O)CCC(N)C(F)F.Cl
InChIInChI=1S/C6H11F2NO2.ClH/c1-11-5(10)3-2-4(9)6(7)8;/h4,6H,2-3,9H2,1H3;1H
InChIKeyUBGSZGPYZRTURK-UHFFFAOYSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 4-amino-4-bromobutanoate
CID 175158187
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
methyl (4S)-4-aminohexanoate
CID 130019319
6-methoxy-3-methoxycarbonyl-2,6-dioxohexanoic acid
CID 175166085
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
(1-amino-4-methoxy-4-oxobutyl)boronic acid
CID 18509192
dimethyl 2-(2,2-dimethylpropanoyl)pentanedioate
CID 71567746
dimethyl 4-methylheptanedioate
CID 521222
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
methyl (4R)-4-aminohex-5-ynoate
CID 88718815
[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium
CID 6994978

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5,5-difluoropentanoate;hydrochloride?
The IUPAC name of methyl 4-amino-5,5-difluoropentanoate;hydrochloride (CID 105455860) is methyl 4-amino-5,5-difluoropentanoate;hydrochloride.
What is the SMILES notation for methyl 4-amino-5,5-difluoropentanoate;hydrochloride?
The canonical SMILES for methyl 4-amino-5,5-difluoropentanoate;hydrochloride is COC(=O)CCC(N)C(F)F.Cl.
What is the InChIKey of methyl 4-amino-5,5-difluoropentanoate;hydrochloride?
The InChIKey is UBGSZGPYZRTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2.ClH/c1-11-5(10)3-2-4(9)6(7)8;/h4,6H,2-3,9H2,1H3;1H.
What are the key properties of methyl 4-amino-5,5-difluoropentanoate;hydrochloride?
methyl 4-amino-5,5-difluoropentanoate;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5,5-difluoropentanoate;hydrochloride is sourced from PubChem (CID 105455860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).