1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene

C16H16F2O — CID 167222708

IUPAC1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(OCc2cccc(F)c2)c1
InChIInChI=1S/C16H16F2O/c1-11(2)13-7-15(18)9-16(8-13)19-10-12-4-3-5-14(17)6-12/h3-9,11H,10H2,1-2H3
InChIKeyVQSXILNUIQKFPM-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.67
Rot. Bonds4

About 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene

1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene (PubChem CID 167222708) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
PubChem CID167222708
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(OCc2cccc(F)c2)c1
InChIInChI=1S/C16H16F2O/c1-11(2)13-7-15(18)9-16(8-13)19-10-12-4-3-5-14(17)6-12/h3-9,11H,10H2,1-2H3
InChIKeyVQSXILNUIQKFPM-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-fluoro-5-[(3-propan-2-ylphenoxy)methyl]phenyl]boronic acid
CID 79700727
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
CID 162421142
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene (CID 167222708) is 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene is CC(C)c1cc(F)cc(OCc2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene?
The InChIKey is VQSXILNUIQKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11(2)13-7-15(18)9-16(8-13)19-10-12-4-3-5-14(17)6-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene?
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene has a molecular weight of 262.30 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene is sourced from PubChem (CID 167222708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).