1,3-dipropyl-5-(trifluoromethyl)benzene

C13H17F3 — CID 58332275

IUPAC1,3-dipropyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(CCC)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3/c1-3-5-10-7-11(6-4-2)9-12(8-10)13(14,15)16/h7-9H,3-6H2,1-2H3
InChIKeyGBCARPRZJQDJQS-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.61
Rot. Bonds4

About 1,3-dipropyl-5-(trifluoromethyl)benzene

1,3-dipropyl-5-(trifluoromethyl)benzene (PubChem CID 58332275) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3-dipropyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dipropyl-5-(trifluoromethyl)benzene
PubChem CID58332275
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name1,3-dipropyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(CCC)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3/c1-3-5-10-7-11(6-4-2)9-12(8-10)13(14,15)16/h7-9H,3-6H2,1-2H3
InChIKeyGBCARPRZJQDJQS-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dipropyl-5-(trifluoromethyl)benzene (CID 58332275) is 1,3-dipropyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dipropyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dipropyl-5-(trifluoromethyl)benzene is CCCc1cc(CCC)cc(C(F)(F)F)c1.
What is the InChIKey of 1,3-dipropyl-5-(trifluoromethyl)benzene?
The InChIKey is GBCARPRZJQDJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3/c1-3-5-10-7-11(6-4-2)9-12(8-10)13(14,15)16/h7-9H,3-6H2,1-2H3.
What are the key properties of 1,3-dipropyl-5-(trifluoromethyl)benzene?
1,3-dipropyl-5-(trifluoromethyl)benzene has a molecular weight of 230.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 58332275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).