2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene

C27H23F3 — CID 157489638

IUPAC2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene
SMILESCCCCc1cc(-c2ccc3cc(C(F)(F)F)ccc3c2)ccc1-c1ccccc1
InChIInChI=1S/C27H23F3/c1-2-3-7-24-17-22(13-15-26(24)19-8-5-4-6-9-19)20-10-11-23-18-25(27(28,29)30)14-12-21(23)16-20/h4-6,8-18H,2-3,7H2,1H3
InChIKeyQRLJHQLMBVMGIK-UHFFFAOYSA-N
MW404.48 g/mol
LogP8.54
Rot. Bonds5

About 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene

2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene (PubChem CID 157489638) has the molecular formula C27H23F3 and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene
PubChem CID157489638
Molecular FormulaC27H23F3
Molecular Weight404.48 g/mol
Exact Mass404.18
IUPAC Name2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene
SMILESCCCCc1cc(-c2ccc3cc(C(F)(F)F)ccc3c2)ccc1-c1ccccc1
InChIInChI=1S/C27H23F3/c1-2-3-7-24-17-22(13-15-26(24)19-8-5-4-6-9-19)20-10-11-23-18-25(27(28,29)30)14-12-21(23)16-20/h4-6,8-18H,2-3,7H2,1H3
InChIKeyQRLJHQLMBVMGIK-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
5-butyl-3-phenyl-6-[4-(trifluoromethyl)phenyl]pyran-2-one
CID 164679300
2-(2-butylphenyl)naphthalene
CID 58626566
1-[3-[4-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3-heptylphenyl]phenyl]-3,5-dimethylbenzene
CID 59546699
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
2-butyl-4-phenylaniline
CID 24835781
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
CID 73333008
3-dodecyl-4-phenylbenzoic acid
CID 19933758

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene?
The IUPAC name of 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene (CID 157489638) is 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene.
What is the SMILES notation for 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene?
The canonical SMILES for 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene is CCCCc1cc(-c2ccc3cc(C(F)(F)F)ccc3c2)ccc1-c1ccccc1.
What is the InChIKey of 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene?
The InChIKey is QRLJHQLMBVMGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3/c1-2-3-7-24-17-22(13-15-26(24)19-8-5-4-6-9-19)20-10-11-23-18-25(27(28,29)30)14-12-21(23)16-20/h4-6,8-18H,2-3,7H2,1H3.
What are the key properties of 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene?
2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene has a molecular weight of 404.48 g/mol, XLogP of 8.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene is sourced from PubChem (CID 157489638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).