methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide

C7H14BrF2NO2 — CID 86625057

IUPACmethyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide
SMILESBr.CCC(F)(F)C[C@H](N)C(=O)OC
InChIInChI=1S/C7H13F2NO2.BrH/c1-3-7(8,9)4-5(10)6(11)12-2;/h5H,3-4,10H2,1-2H3;1H/t5-;/m0./s1
InChIKeyYYJPNIZJAXVJNR-JEDNCBNOSA-N
MW262.09 g/mol
LogP1.50
Rot. Bonds4

About methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide

methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide (PubChem CID 86625057) has the molecular formula C7H14BrF2NO2 and a molecular weight of 262.09 g/mol. Its IUPAC name is methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide.

Molecular Properties

Compound Namemethyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide
PubChem CID86625057
Molecular FormulaC7H14BrF2NO2
Molecular Weight262.09 g/mol
Exact Mass261.02
IUPAC Namemethyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide
SMILESBr.CCC(F)(F)C[C@H](N)C(=O)OC
InChIInChI=1S/C7H13F2NO2.BrH/c1-3-7(8,9)4-5(10)6(11)12-2;/h5H,3-4,10H2,1-2H3;1H/t5-;/m0./s1
InChIKeyYYJPNIZJAXVJNR-JEDNCBNOSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide?
The IUPAC name of methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide (CID 86625057) is methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide.
What is the SMILES notation for methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide?
The canonical SMILES for methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide is Br.CCC(F)(F)C[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide?
The InChIKey is YYJPNIZJAXVJNR-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13F2NO2.BrH/c1-3-7(8,9)4-5(10)6(11)12-2;/h5H,3-4,10H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide?
methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide has a molecular weight of 262.09 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-4,4-difluorohexanoate;hydrobromide is sourced from PubChem (CID 86625057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).