methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate

C9H15F2NO2 — CID 84722354

IUPACmethyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)C1CCCC(N)C1
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-3-2-4-7(12)5-6/h6-7H,2-5,12H2,1H3
InChIKeyAJXPOIWBNVICGG-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.31
Rot. Bonds2

About methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate

methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate (PubChem CID 84722354) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate
PubChem CID84722354
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namemethyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)C1CCCC(N)C1
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-3-2-4-7(12)5-6/h6-7H,2-5,12H2,1H3
InChIKeyAJXPOIWBNVICGG-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate
CID 84722353
methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
CID 97297725
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
CID 158104512
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate (CID 84722354) is methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate is COC(=O)C(F)(F)C1CCCC(N)C1.
What is the InChIKey of methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate?
The InChIKey is AJXPOIWBNVICGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-3-2-4-7(12)5-6/h6-7H,2-5,12H2,1H3.
What are the key properties of methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate?
methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate has a molecular weight of 207.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate is sourced from PubChem (CID 84722354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).