2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene

C11H12F4O — CID 174252314

IUPAC2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene
SMILESCOc1ccc(C(C)CC(F)(F)F)cc1F
InChIInChI=1S/C11H12F4O/c1-7(6-11(13,14)15)8-3-4-10(16-2)9(12)5-8/h3-5,7H,6H2,1-2H3
InChIKeyPMMJHZUUAMAODW-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.89
Rot. Bonds3

About 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene

2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene (PubChem CID 174252314) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene
PubChem CID174252314
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene
SMILESCOc1ccc(C(C)CC(F)(F)F)cc1F
InChIInChI=1S/C11H12F4O/c1-7(6-11(13,14)15)8-3-4-10(16-2)9(12)5-8/h3-5,7H,6H2,1-2H3
InChIKeyPMMJHZUUAMAODW-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene (CID 174252314) is 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene is COc1ccc(C(C)CC(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene?
The InChIKey is PMMJHZUUAMAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-7(6-11(13,14)15)8-3-4-10(16-2)9(12)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene?
2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene has a molecular weight of 236.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene is sourced from PubChem (CID 174252314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).