2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane

C18H25FO — CID 134447528

IUPAC2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane
SMILESCc1cccc(C2CCC(C3CCCCO3)CC2)c1F
InChIInChI=1S/C18H25FO/c1-13-5-4-6-16(18(13)19)14-8-10-15(11-9-14)17-7-2-3-12-20-17/h4-6,14-15,17H,2-3,7-12H2,1H3
InChIKeyRBIGFZNODGGTTD-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.98
Rot. Bonds2

About 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane

2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane (PubChem CID 134447528) has the molecular formula C18H25FO and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane.

Molecular Properties

Compound Name2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane
PubChem CID134447528
Molecular FormulaC18H25FO
Molecular Weight276.39 g/mol
Exact Mass276.19
IUPAC Name2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane
SMILESCc1cccc(C2CCC(C3CCCCO3)CC2)c1F
InChIInChI=1S/C18H25FO/c1-13-5-4-6-16(18(13)19)14-8-10-15(11-9-14)17-7-2-3-12-20-17/h4-6,14-15,17H,2-3,7-12H2,1H3
InChIKeyRBIGFZNODGGTTD-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane?
The IUPAC name of 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane (CID 134447528) is 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane.
What is the SMILES notation for 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane?
The canonical SMILES for 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane is Cc1cccc(C2CCC(C3CCCCO3)CC2)c1F.
What is the InChIKey of 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane?
The InChIKey is RBIGFZNODGGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c1-13-5-4-6-16(18(13)19)14-8-10-15(11-9-14)17-7-2-3-12-20-17/h4-6,14-15,17H,2-3,7-12H2,1H3.
What are the key properties of 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane?
2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane has a molecular weight of 276.39 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane is sourced from PubChem (CID 134447528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).