methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate

C7H10F3NO2 — CID 115020911

IUPACmethyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO2/c1-13-5(12)6(2-3-6)4(11)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyKXFLQSQWADXUEO-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.83
Rot. Bonds2

About methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate

methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate (PubChem CID 115020911) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
PubChem CID115020911
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Namemethyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO2/c1-13-5(12)6(2-3-6)4(11)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyKXFLQSQWADXUEO-UHFFFAOYSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
CID 115012255
methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
CID 115016947
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445
methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
CID 116944350
tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
CID 115047302
methyl 1-[1-(dimethylamino)propyl]cyclopropane-1-carboxylate
CID 116912747
dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
CID 91799029
methyl 1-amino-2,2-bis(2-aminopropanoyl)cyclobutane-1-carboxylate
CID 67827972
methyl 4-(difluoromethyl)-1,1-dioxothiane-4-carboxylate
CID 165476267
methyl 1-[amino(thian-3-yl)methyl]cyclopropane-1-carboxylate
CID 115037464
methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
CID 116959146

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate (CID 115020911) is methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate is COC(=O)C1(C(N)C(F)(F)F)CC1.
What is the InChIKey of methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate?
The InChIKey is KXFLQSQWADXUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-13-5(12)6(2-3-6)4(11)7(8,9)10/h4H,2-3,11H2,1H3.
What are the key properties of methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate?
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate has a molecular weight of 197.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115020911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).