1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene

C15H12F4O — CID 91213757

IUPAC1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCOC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F4O/c1-20-14(11-4-8-13(16)9-5-11)10-2-6-12(7-3-10)15(17,18)19/h2-9,14H,1H3
InChIKeyNXAGSANETWPYLR-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.58
Rot. Bonds3

About 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene

1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 91213757) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID91213757
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCOC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F4O/c1-20-14(11-4-8-13(16)9-5-11)10-2-6-12(7-3-10)15(17,18)19/h2-9,14H,1H3
InChIKeyNXAGSANETWPYLR-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
cis-Stilbene oxide
CID 98511
2-(4-Methylphenyl)oxirane
CID 108111
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
4-(Trifluoromethyl)benzhydrol
CID 258897
trans-Stilbene oxide
CID 91504
(R,R)-Stilbene oxide
CID 185583
2-(4-Biphenylyl)-2-methyloxirane
CID 149056
Stilbene oxide
CID 28649
(1-Methoxyethyl)benzene
CID 19913
4,4-Bis(methoxymethyl)biphenyl
CID 1519430

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene (CID 91213757) is 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene is COC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is NXAGSANETWPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-20-14(11-4-8-13(16)9-5-11)10-2-6-12(7-3-10)15(17,18)19/h2-9,14H,1H3.
What are the key properties of 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene?
1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 284.25 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 91213757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).