1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene

C17H17F3 — CID 12783381

IUPAC1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
SMILESFC(F)(F)CCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H17F3/c18-17(19,20)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2
InChIKeyBUVKQQKZKQXQSX-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.97
Rot. Bonds5

About 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene

1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene (PubChem CID 12783381) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
PubChem CID12783381
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
SMILESFC(F)(F)CCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H17F3/c18-17(19,20)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2
InChIKeyBUVKQQKZKQXQSX-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791
benzene;2-phenylethylbenzene
CID 18982764
hafnium;2-phenylethylbenzene
CID 173109801
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-(3,3,3-trifluoropropyl)benzenesulfonic acid
CID 22621208
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene?
The IUPAC name of 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene (CID 12783381) is 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene.
What is the SMILES notation for 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene?
The canonical SMILES for 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene is FC(F)(F)CCc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene?
The InChIKey is BUVKQQKZKQXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c18-17(19,20)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene?
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene has a molecular weight of 278.32 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene is sourced from PubChem (CID 12783381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).