methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate

C14H16F2O2 — CID 83925556

IUPACmethyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1cccc(F)c1F
InChIInChI=1S/C14H16F2O2/c1-8(6-9-7-11(9)14(17)18-2)10-4-3-5-12(15)13(10)16/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyFSJDRVVNKPCQPW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.27
Rot. Bonds4

About methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83925556) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83925556
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1cccc(F)c1F
InChIInChI=1S/C14H16F2O2/c1-8(6-9-7-11(9)14(17)18-2)10-4-3-5-12(15)13(10)16/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyFSJDRVVNKPCQPW-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
methyl 2-[2-(5-bromo-2-fluorophenyl)butyl]cyclopropane-1-carboxylate
CID 83933943
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
CID 83924997
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
CID 83925307
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylate
CID 83942400
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate (CID 83925556) is methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CC(C)c1cccc(F)c1F.
What is the InChIKey of methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is FSJDRVVNKPCQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-8(6-9-7-11(9)14(17)18-2)10-4-3-5-12(15)13(10)16/h3-5,8-9,11H,6-7H2,1-2H3.
What are the key properties of methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83925556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).