1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene

C16H15F3 — CID 167251693

IUPAC1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC(C)c1cc(-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3/c1-11(2)13-8-14(12-6-4-3-5-7-12)10-15(9-13)16(17,18)19/h3-11H,1-2H3
InChIKeyXQXKUHCUUDLUSE-UHFFFAOYSA-N
MW264.29 g/mol
LogP5.50
Rot. Bonds2

About 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene

1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene (PubChem CID 167251693) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
PubChem CID167251693
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC(C)c1cc(-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3/c1-11(2)13-8-14(12-6-4-3-5-7-12)10-15(9-13)16(17,18)19/h3-11H,1-2H3
InChIKeyXQXKUHCUUDLUSE-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.29
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 134622895
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118841259
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2,6-diphenylpyridin-1-ium tetrafluoroborate
CID 10578472
1-iodo-4-propan-2-ylbenzene;trifluoromethylbenzene
CID 174465530
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
CID 101460916
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene (CID 167251693) is 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene is CC(C)c1cc(-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
The InChIKey is XQXKUHCUUDLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-11(2)13-8-14(12-6-4-3-5-7-12)10-15(9-13)16(17,18)19/h3-11H,1-2H3.
What are the key properties of 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene has a molecular weight of 264.29 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 167251693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).