2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane

C14H19FO — CID 145256712

IUPAC2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane
SMILESCCCc1ccc(F)cc1CCCC1CO1
InChIInChI=1S/C14H19FO/c1-2-4-11-7-8-13(15)9-12(11)5-3-6-14-10-16-14/h7-9,14H,2-6,10H2,1H3
InChIKeyLRSGFZWUOATXRB-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.50
Rot. Bonds6

About 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane

2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane (PubChem CID 145256712) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane
PubChem CID145256712
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane
SMILESCCCc1ccc(F)cc1CCCC1CO1
InChIInChI=1S/C14H19FO/c1-2-4-11-7-8-13(15)9-12(11)5-3-6-14-10-16-14/h7-9,14H,2-6,10H2,1H3
InChIKeyLRSGFZWUOATXRB-UHFFFAOYSA-N
XLogP3.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(3-Phenylpropyl)tetrahydrofuran
CID 62490
2-(2-Phenylethyl)oxirane
CID 135955
2-[(4-Methylphenyl)methyl]oxirane
CID 155603
4-(4-Fluorophenyl)-2,3-dimethylbutan-1-ol
CID 140322397
1-(3,4-Difluorophenyl)octan-3-ol
CID 156016548
p-Methylphenylbutylene oxide
CID 135842
Oxirane, 2-(2-(1,1'-biphenyl-4-yl)ethyl)-
CID 148940
2-[(3-Fluorophenyl)methyl]oxirane
CID 12407138
2-[(4-Fluorophenyl)methyl]oxirane
CID 12407139
2-(1,1-Difluoroprop-1-en-2-yl)-3-(2-phenylethyl)oxirane
CID 12038415
5-Fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran
CID 15524505
Benzenebutanol, 2-methyl-
CID 14863

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane?
The IUPAC name of 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane (CID 145256712) is 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane.
What is the SMILES notation for 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane?
The canonical SMILES for 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane is CCCc1ccc(F)cc1CCCC1CO1.
What is the InChIKey of 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane?
The InChIKey is LRSGFZWUOATXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-2-4-11-7-8-13(15)9-12(11)5-3-6-14-10-16-14/h7-9,14H,2-6,10H2,1H3.
What are the key properties of 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane?
2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane has a molecular weight of 222.30 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane is sourced from PubChem (CID 145256712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).