1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene

C21H23F3 — CID 122677235

IUPAC1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C3CC(C)(F)C(F)(F)C3)cc2)cc1
InChIInChI=1S/C21H23F3/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-20(2,22)21(23,24)14-19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyYWTJMABXUSHVDW-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.55
Rot. Bonds4

About 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene

1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene (PubChem CID 122677235) has the molecular formula C21H23F3 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene
PubChem CID122677235
Molecular FormulaC21H23F3
Molecular Weight332.41 g/mol
Exact Mass332.18
IUPAC Name1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C3CC(C)(F)C(F)(F)C3)cc2)cc1
InChIInChI=1S/C21H23F3/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-20(2,22)21(23,24)14-19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyYWTJMABXUSHVDW-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran
CID 154524218
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
3-(4-propylphenyl)oxetane
CID 130361103
1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
CID 130352058
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene?
The IUPAC name of 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene (CID 122677235) is 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene.
What is the SMILES notation for 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene?
The canonical SMILES for 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene is CCCc1ccc(-c2ccc(C3CC(C)(F)C(F)(F)C3)cc2)cc1.
What is the InChIKey of 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene?
The InChIKey is YWTJMABXUSHVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-20(2,22)21(23,24)14-19/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene?
1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene has a molecular weight of 332.41 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene is sourced from PubChem (CID 122677235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).