methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate

C10H17F2NO2 — CID 105477233

IUPACmethyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
SMILESCOC(=O)C(N)(C(F)F)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c1-15-9(14)10(13,8(11)12)7-5-3-2-4-6-7/h7-8H,2-6,13H2,1H3
InChIKeyWKFDHKIAOOQQSO-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate

methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate (PubChem CID 105477233) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
PubChem CID105477233
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
SMILESCOC(=O)C(N)(C(F)F)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c1-15-9(14)10(13,8(11)12)7-5-3-2-4-6-7/h7-8H,2-6,13H2,1H3
InChIKeyWKFDHKIAOOQQSO-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate
CID 105437831
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
CID 105496040
tert-butyl 2,2-diamino-2-cyclohexylacetate
CID 70137368
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate
CID 84722353
methyl (3S)-2,2-dichloro-3-cyclohexyl-3-hydroxypropanoate
CID 12034295

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate?
The IUPAC name of methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate (CID 105477233) is methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate?
The canonical SMILES for methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate is COC(=O)C(N)(C(F)F)C1CCCCC1.
What is the InChIKey of methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate?
The InChIKey is WKFDHKIAOOQQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-15-9(14)10(13,8(11)12)7-5-3-2-4-6-7/h7-8H,2-6,13H2,1H3.
What are the key properties of methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate?
methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate has a molecular weight of 221.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate is sourced from PubChem (CID 105477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).