1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene

C14H19F — CID 170020955

IUPAC1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene
SMILESC=C(F)C(CC)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H19F/c1-6-13(12(5)15)14-8-10(3)9(2)7-11(14)4/h7-8,13H,5-6H2,1-4H3
InChIKeyROBUIQSYDVDSSK-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.59
Rot. Bonds3

About 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene

1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene (PubChem CID 170020955) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene
PubChem CID170020955
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene
SMILESC=C(F)C(CC)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H19F/c1-6-13(12(5)15)14-8-10(3)9(2)7-11(14)4/h7-8,13H,5-6H2,1-4H3
InChIKeyROBUIQSYDVDSSK-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene?
The IUPAC name of 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene (CID 170020955) is 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene is C=C(F)C(CC)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene?
The InChIKey is ROBUIQSYDVDSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-6-13(12(5)15)14-8-10(3)9(2)7-11(14)4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene?
1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene has a molecular weight of 206.30 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropent-1-en-3-yl)-2,4,5-trimethylbenzene is sourced from PubChem (CID 170020955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).