methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate

C12H12F2O2 — CID 116929823

IUPACmethyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H12F2O2/c1-16-11(15)12(4-5-12)7-8-2-3-9(13)6-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyDIAHNKWDFDRZIF-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.46
Rot. Bonds3

About methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116929823) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116929823
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Namemethyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H12F2O2/c1-16-11(15)12(4-5-12)7-8-2-3-9(13)6-10(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyDIAHNKWDFDRZIF-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[(2,5-difluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929868
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
1-O-tert-butyl 4-O-methyl 4-[(2,5-difluorophenyl)methyl]piperidine-1,4-dicarboxylate
CID 139524373
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65394534
1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65401902
1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
CID 106797011
1-[(2,4-difluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423928
ethyl 3-[(2,4-difluorophenyl)methyl]-1-(4-methoxy-4-oxobutanoyl)piperidine-3-carboxylate
CID 45233977
ethyl 3-[(2,4-difluorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxylate
CID 45250093
2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide
CID 166408961
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate (CID 116929823) is methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is DIAHNKWDFDRZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-16-11(15)12(4-5-12)7-8-2-3-9(13)6-10(8)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 226.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116929823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).