2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane

C18H25FO — CID 142899993

IUPAC2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
SMILESCC1CCC(C2CCC(c3cccc(F)c3)CC2)OC1
InChIInChI=1S/C18H25FO/c1-13-5-10-18(20-12-13)15-8-6-14(7-9-15)16-3-2-4-17(19)11-16/h2-4,11,13-15,18H,5-10,12H2,1H3
InChIKeySHEXUJMEIQEFET-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.91
Rot. Bonds2

About 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane

2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane (PubChem CID 142899993) has the molecular formula C18H25FO and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
PubChem CID142899993
Molecular FormulaC18H25FO
Molecular Weight276.39 g/mol
Exact Mass276.19
IUPAC Name2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
SMILESCC1CCC(C2CCC(c3cccc(F)c3)CC2)OC1
InChIInChI=1S/C18H25FO/c1-13-5-10-18(20-12-13)15-8-6-14(7-9-15)16-3-2-4-17(19)11-16/h2-4,11,13-15,18H,5-10,12H2,1H3
InChIKeySHEXUJMEIQEFET-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
2-(3-fluorophenyl)-3,6-dimethyl-1,4-oxazepane
CID 114872204
8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 21308588
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
4-(3-fluorophenyl)-1,2-oxazolidine
CID 105433367
2-(3-fluorophenyl)-4-methyl-1,3-oxazolidine
CID 82280855
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
[5-(3-fluorophenyl)oxan-2-yl]methanamine
CID 165449279
(4aR,6R,8aR)-2-ethyl-6-(3-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809252
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
CID 18720860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane?
The IUPAC name of 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane (CID 142899993) is 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane.
What is the SMILES notation for 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane?
The canonical SMILES for 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane is CC1CCC(C2CCC(c3cccc(F)c3)CC2)OC1.
What is the InChIKey of 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane?
The InChIKey is SHEXUJMEIQEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c1-13-5-10-18(20-12-13)15-8-6-14(7-9-15)16-3-2-4-17(19)11-16/h2-4,11,13-15,18H,5-10,12H2,1H3.
What are the key properties of 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane?
2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane has a molecular weight of 276.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane is sourced from PubChem (CID 142899993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).