methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate

C14H17FO2 — CID 83931003

IUPACmethyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FO2/c1-9(10-3-5-12(15)6-4-10)7-11-8-13(11)14(16)17-2/h3-6,9,11,13H,7-8H2,1-2H3
InChIKeyKCAWFCBPRDLLFP-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83931003) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83931003
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FO2/c1-9(10-3-5-12(15)6-4-10)7-11-8-13(11)14(16)17-2/h3-6,9,11,13H,7-8H2,1-2H3
InChIKeyKCAWFCBPRDLLFP-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556
methyl 2-[2-(3-methylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83926526
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(3-propan-2-ylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927024
methyl 2-[2-(2,3,6-trichlorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925208
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate (CID 83931003) is methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CC(C)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is KCAWFCBPRDLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9(10-3-5-12(15)6-4-10)7-11-8-13(11)14(16)17-2/h3-6,9,11,13H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 236.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83931003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).