2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane

C15H19FO2 — CID 59790559

IUPAC2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
SMILESFc1ccc(C2CCC(OCC3CO3)CC2)cc1
InChIInChI=1S/C15H19FO2/c16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-9-15-10-18-15/h1-2,5-6,12,14-15H,3-4,7-10H2
InChIKeyZCGMCMROCDBIHN-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.27
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane

2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane (PubChem CID 59790559) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
PubChem CID59790559
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
SMILESFc1ccc(C2CCC(OCC3CO3)CC2)cc1
InChIInChI=1S/C15H19FO2/c16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-9-15-10-18-15/h1-2,5-6,12,14-15H,3-4,7-10H2
InChIKeyZCGMCMROCDBIHN-UHFFFAOYSA-N
XLogP3.27
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-chlorophenyl)cyclohexyl]oxymethoxymethyl]oxirane
CID 59791027
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]oxymethoxymethyl]oxirane
CID 59790951
4-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]benzonitrile
CID 59790548
2-[[4-[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59790578
2-[[4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59791128
4-[4-[4-[4-(oxiran-2-ylmethoxy)cyclohexyl]cyclohexyl]phenyl]benzonitrile;4-[4-[4-[4-(oxiran-2-ylmethyl)cyclohexyl]cyclohexyl]phenyl]benzonitrile
CID 91582864
2-fluoro-4-[4-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]phenyl]benzonitrile
CID 59790919
1-[4-[4-(3-chloroprop-2-enoxy)cyclohexyl]cyclohexyl]-4-fluorobenzene
CID 54534902
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
(4-fluorophenyl) 4-[4-(oxiran-2-ylmethyl)cyclohexyl]benzoate
CID 59790621
1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane (CID 59790559) is 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane is Fc1ccc(C2CCC(OCC3CO3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane?
The InChIKey is ZCGMCMROCDBIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-9-15-10-18-15/h1-2,5-6,12,14-15H,3-4,7-10H2.
What are the key properties of 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane?
2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane has a molecular weight of 250.31 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 2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 59790559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).