methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride

C10H18ClF2NO2 — CID 167739069

IUPACmethyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C10H17F2NO2.ClH/c1-15-9(14)8(13)6-7-2-4-10(11,12)5-3-7;/h7-8H,2-6,13H2,1H3;1H/t8-;/m1./s1
InChIKeyFPDUMVCAOUQLJR-DDWIOCJRSA-N
MW257.71 g/mol
LogP2.12
Rot. Bonds3

About methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride

methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride (PubChem CID 167739069) has the molecular formula C10H18ClF2NO2 and a molecular weight of 257.71 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride
PubChem CID167739069
Molecular FormulaC10H18ClF2NO2
Molecular Weight257.71 g/mol
Exact Mass257.10
IUPAC Namemethyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C10H17F2NO2.ClH/c1-15-9(14)8(13)6-7-2-4-10(11,12)5-3-7;/h7-8H,2-6,13H2,1H3;1H/t8-;/m1./s1
InChIKeyFPDUMVCAOUQLJR-DDWIOCJRSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride (CID 167739069) is methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride is COC(=O)[C@H](N)CC1CCC(F)(F)CC1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride?
The InChIKey is FPDUMVCAOUQLJR-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H17F2NO2.ClH/c1-15-9(14)8(13)6-7-2-4-10(11,12)5-3-7;/h7-8H,2-6,13H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride has a molecular weight of 257.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate;hydrochloride is sourced from PubChem (CID 167739069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).