1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene

C16H15F3 — CID 54541075

IUPAC1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(C)c(F)c2F)cc1
InChIInChI=1S/C16H15F3/c1-3-4-11-5-7-12(8-6-11)13-9-14(17)10(2)15(18)16(13)19/h5-9H,3-4H2,1-2H3
InChIKeyZDFWVDRJWGMYAR-UHFFFAOYSA-N
MW264.29 g/mol
LogP5.03
Rot. Bonds3

About 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene

1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene (PubChem CID 54541075) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
PubChem CID54541075
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(C)c(F)c2F)cc1
InChIInChI=1S/C16H15F3/c1-3-4-11-5-7-12(8-6-11)13-9-14(17)10(2)15(18)16(13)19/h5-9H,3-4H2,1-2H3
InChIKeyZDFWVDRJWGMYAR-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
CID 139863141
3,4-difluoro-1-methyl-5-(4-pentylphenyl)-2-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 59592220
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
1,3,4-trifluoro-5-(2-fluoro-4-octylphenyl)-2-methylbenzene
CID 54257205
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
2-fluoro-4-iodo-1-(4-propylphenyl)benzene
CID 150911795

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene?
The IUPAC name of 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene (CID 54541075) is 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene.
What is the SMILES notation for 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene?
The canonical SMILES for 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene is CCCc1ccc(-c2cc(F)c(C)c(F)c2F)cc1.
What is the InChIKey of 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene?
The InChIKey is ZDFWVDRJWGMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-3-4-11-5-7-12(8-6-11)13-9-14(17)10(2)15(18)16(13)19/h5-9H,3-4H2,1-2H3.
What are the key properties of 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene?
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene has a molecular weight of 264.29 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene is sourced from PubChem (CID 54541075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).