methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate

C11H10F3NO2 — CID 110477797

IUPACmethyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
SMILESCOC(=O)NC1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C11H10F3NO2/c1-17-10(16)15-11(4-5-11)6-2-3-7(12)9(14)8(6)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyFFKCZLSEVJVGBT-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.45
Rot. Bonds2

About methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate

methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate (PubChem CID 110477797) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
PubChem CID110477797
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Namemethyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
SMILESCOC(=O)NC1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C11H10F3NO2/c1-17-10(16)15-11(4-5-11)6-2-3-7(12)9(14)8(6)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyFFKCZLSEVJVGBT-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163
2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide
CID 156724336
N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486480
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
CID 131908378
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110445767
N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486488
methyl 1-(3,4-difluoro-2-methylphenyl)cyclopentane-1-carboxylate;methylsulfanylmethane
CID 144726984
2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110486472
N-(2-aminoethyl)-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486476
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate?
The IUPAC name of methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate (CID 110477797) is methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate.
What is the SMILES notation for methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate?
The canonical SMILES for methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate is COC(=O)NC1(c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate?
The InChIKey is FFKCZLSEVJVGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-17-10(16)15-11(4-5-11)6-2-3-7(12)9(14)8(6)13/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate?
methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate has a molecular weight of 245.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 110477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).