1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene

C17H16F4 — CID 170246253

IUPAC1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2cc(F)ccc2C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C17H16F4/c1-10(2)15-5-4-14(18)9-16(15)12-6-11(3)7-13(8-12)17(19,20)21/h4-10H,1-3H3
InChIKeyNHUIUDCIXYMPKH-UHFFFAOYSA-N
MW296.31 g/mol
LogP5.94
Rot. Bonds2

About 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene

1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene (PubChem CID 170246253) has the molecular formula C17H16F4 and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
PubChem CID170246253
Molecular FormulaC17H16F4
Molecular Weight296.31 g/mol
Exact Mass296.12
IUPAC Name1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2cc(F)ccc2C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C17H16F4/c1-10(2)15-5-4-14(18)9-16(15)12-6-11(3)7-13(8-12)17(19,20)21/h4-10H,1-3H3
InChIKeyNHUIUDCIXYMPKH-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.31
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
CID 152897168
3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol
CID 163836406
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
CID 130334912
2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
CID 123460717
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
CID 101460916
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine
CID 126486726
3-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)benzonitrile
CID 165437703
2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
CID 69105545
9-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octafluoro-10-[3-methyl-5-(trifluoromethyl)phenyl]anthracene
CID 166974251

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene (CID 170246253) is 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene is Cc1cc(-c2cc(F)ccc2C(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene?
The InChIKey is NHUIUDCIXYMPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4/c1-10(2)15-5-4-14(18)9-16(15)12-6-11(3)7-13(8-12)17(19,20)21/h4-10H,1-3H3.
What are the key properties of 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene?
1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene has a molecular weight of 296.31 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 170246253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).