1-phenoxy-4-(3,3,3-trifluoropropyl)benzene

C15H13F3O — CID 13188955

IUPAC1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
SMILESFC(F)(F)CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13F3O/c16-15(17,18)11-10-12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeySNWLIYGNHXTVIR-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.97
Rot. Bonds4

About 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene

1-phenoxy-4-(3,3,3-trifluoropropyl)benzene (PubChem CID 13188955) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene.

Molecular Properties

Compound Name1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
PubChem CID13188955
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
SMILESFC(F)(F)CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13F3O/c16-15(17,18)11-10-12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeySNWLIYGNHXTVIR-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
trifluoro-[(4-phenoxyphenyl)methyl]boranuide
CID 171374152
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide
CID 171374151
1-phenoxy-3-(4,4,4-trifluorobutoxymethyl)benzene
CID 70229700
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene?
The IUPAC name of 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene (CID 13188955) is 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene.
What is the SMILES notation for 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene?
The canonical SMILES for 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene is FC(F)(F)CCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene?
The InChIKey is SNWLIYGNHXTVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c16-15(17,18)11-10-12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene?
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene has a molecular weight of 266.26 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(3,3,3-trifluoropropyl)benzene is sourced from PubChem (CID 13188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).