1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene

C12H15F — CID 155174997

IUPAC1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1c(C)c(C)cc(F)c1C
InChIInChI=1S/C12H15F/c1-5-6-11-9(3)8(2)7-12(13)10(11)4/h5-7H,1-4H3/b6-5+
InChIKeyWSTBXZAOFLXMPG-AATRIKPKSA-N
MW178.25 g/mol
LogP3.78
Rot. Bonds1

About 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene

1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene (PubChem CID 155174997) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
PubChem CID155174997
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1c(C)c(C)cc(F)c1C
InChIInChI=1S/C12H15F/c1-5-6-11-9(3)8(2)7-12(13)10(11)4/h5-7H,1-4H3/b6-5+
InChIKeyWSTBXZAOFLXMPG-AATRIKPKSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene (CID 155174997) is 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene is C/C=C/c1c(C)c(C)cc(F)c1C.
What is the InChIKey of 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene?
The InChIKey is WSTBXZAOFLXMPG-AATRIKPKSA-N. The full InChI is InChI=1S/C12H15F/c1-5-6-11-9(3)8(2)7-12(13)10(11)4/h5-7H,1-4H3/b6-5+.
What are the key properties of 1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene?
1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene has a molecular weight of 178.25 g/mol, XLogP of 3.78, 1 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-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 155174997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).