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

C14H19F3 — CID 142967725

IUPAC2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(C(F)(F)F)cc(CCC)c1C
InChIInChI=1S/C14H19F3/c1-4-6-11-8-13(14(15,16)17)9-12(7-5-2)10(11)3/h8-9H,4-7H2,1-3H3
InChIKeyMYDHZEUZBHHUMW-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.92
Rot. Bonds4

About 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene

2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene (PubChem CID 142967725) has the molecular formula C14H19F3 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
PubChem CID142967725
Molecular FormulaC14H19F3
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(C(F)(F)F)cc(CCC)c1C
InChIInChI=1S/C14H19F3/c1-4-6-11-8-13(14(15,16)17)9-12(7-5-2)10(11)3/h8-9H,4-7H2,1-3H3
InChIKeyMYDHZEUZBHHUMW-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene?
The IUPAC name of 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene (CID 142967725) is 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene is CCCc1cc(C(F)(F)F)cc(CCC)c1C.
What is the InChIKey of 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene?
The InChIKey is MYDHZEUZBHHUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3/c1-4-6-11-8-13(14(15,16)17)9-12(7-5-2)10(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene?
2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene has a molecular weight of 244.30 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 142967725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).