1-fluoro-2,4,5-trimethyl-3-propylbenzene

C12H17F — CID 146341300

IUPAC1-fluoro-2,4,5-trimethyl-3-propylbenzene
SMILESCCCc1c(C)c(C)cc(F)c1C
InChIInChI=1S/C12H17F/c1-5-6-11-9(3)8(2)7-12(13)10(11)4/h7H,5-6H2,1-4H3
InChIKeyVYTLAJFHMBRBLT-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.70
Rot. Bonds2

About 1-fluoro-2,4,5-trimethyl-3-propylbenzene

1-fluoro-2,4,5-trimethyl-3-propylbenzene (PubChem CID 146341300) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-fluoro-2,4,5-trimethyl-3-propylbenzene.

Molecular Properties

Compound Name1-fluoro-2,4,5-trimethyl-3-propylbenzene
PubChem CID146341300
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-fluoro-2,4,5-trimethyl-3-propylbenzene
SMILESCCCc1c(C)c(C)cc(F)c1C
InChIInChI=1S/C12H17F/c1-5-6-11-9(3)8(2)7-12(13)10(11)4/h7H,5-6H2,1-4H3
InChIKeyVYTLAJFHMBRBLT-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-2,4,5-trimethyl-3-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4,5-trimethyl-3-propylbenzene?
The IUPAC name of 1-fluoro-2,4,5-trimethyl-3-propylbenzene (CID 146341300) is 1-fluoro-2,4,5-trimethyl-3-propylbenzene.
What is the SMILES notation for 1-fluoro-2,4,5-trimethyl-3-propylbenzene?
The canonical SMILES for 1-fluoro-2,4,5-trimethyl-3-propylbenzene is CCCc1c(C)c(C)cc(F)c1C.
What is the InChIKey of 1-fluoro-2,4,5-trimethyl-3-propylbenzene?
The InChIKey is VYTLAJFHMBRBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-5-6-11-9(3)8(2)7-12(13)10(11)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-fluoro-2,4,5-trimethyl-3-propylbenzene?
1-fluoro-2,4,5-trimethyl-3-propylbenzene has a molecular weight of 180.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4,5-trimethyl-3-propylbenzene is sourced from PubChem (CID 146341300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).