4-[1-(2-fluorophenyl)-2-methylpropyl]oxane

C15H21FO — CID 90383596

IUPAC4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
SMILESCC(C)C(c1ccccc1F)C1CCOCC1
InChIInChI=1S/C15H21FO/c1-11(2)15(12-7-9-17-10-8-12)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyDAZGUBJJWTWTSD-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.99
Rot. Bonds3

About 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane

4-[1-(2-fluorophenyl)-2-methylpropyl]oxane (PubChem CID 90383596) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
PubChem CID90383596
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
SMILESCC(C)C(c1ccccc1F)C1CCOCC1
InChIInChI=1S/C15H21FO/c1-11(2)15(12-7-9-17-10-8-12)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyDAZGUBJJWTWTSD-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
3-[1-(2-fluorophenyl)-2-methylpropyl]pyrrolidine
CID 83910621
2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline
CID 115921631
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
CID 131552715
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
CID 79434689
2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde
CID 105461575

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane?
The IUPAC name of 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane (CID 90383596) is 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane.
What is the SMILES notation for 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane?
The canonical SMILES for 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane is CC(C)C(c1ccccc1F)C1CCOCC1.
What is the InChIKey of 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane?
The InChIKey is DAZGUBJJWTWTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-11(2)15(12-7-9-17-10-8-12)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane?
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane has a molecular weight of 236.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)-2-methylpropyl]oxane is sourced from PubChem (CID 90383596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).