1-butyl-4-(trifluoromethyl)benzene

C11H13F3 — CID 13152545

IUPAC1-butyl-4-(trifluoromethyl)benzene
SMILESCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h5-8H,2-4H2,1H3
InChIKeyBYTSRLZSSBMPSN-UHFFFAOYSA-N
MW202.22 g/mol
LogP4.05
Rot. Bonds3

About 1-butyl-4-(trifluoromethyl)benzene

1-butyl-4-(trifluoromethyl)benzene (PubChem CID 13152545) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-butyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(trifluoromethyl)benzene
PubChem CID13152545
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name1-butyl-4-(trifluoromethyl)benzene
SMILESCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h5-8H,2-4H2,1H3
InChIKeyBYTSRLZSSBMPSN-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-butyl-4-(trifluoromethyl)benzene (CID 13152545) is 1-butyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-butyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-butyl-4-(trifluoromethyl)benzene is CCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-butyl-4-(trifluoromethyl)benzene?
The InChIKey is BYTSRLZSSBMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h5-8H,2-4H2,1H3.
What are the key properties of 1-butyl-4-(trifluoromethyl)benzene?
1-butyl-4-(trifluoromethyl)benzene has a molecular weight of 202.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 13152545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).