butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate

C14H17FO2 — CID 112725171

IUPACbutyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCCCOC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FO2/c1-2-3-10-17-13(16)14(8-9-14)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3
InChIKeyBTYUZKPAADEFAS-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.20
Rot. Bonds5

About butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate

butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 112725171) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namebutyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID112725171
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namebutyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCCCOC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FO2/c1-2-3-10-17-13(16)14(8-9-14)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3
InChIKeyBTYUZKPAADEFAS-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
CID 112558510
propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
CID 20544109
butyl N-[(4S,10S)-4,10-bis(4-fluorophenyl)-4,10-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl]carbamate
CID 58452976
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
2-hexoxyethyl 1-pyridin-4-ylcyclopropane-1-carboxylate
CID 166283987
2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213458
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
butyl 2-amino-3-(4-fluorophenyl)propanoate
CID 20837625

Frequently Asked Questions

What is the IUPAC name of butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate (CID 112725171) is butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate is CCCCOC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is BTYUZKPAADEFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-3-10-17-13(16)14(8-9-14)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3.
What are the key properties of butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 236.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 112725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).