1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene

C17H25F — CID 146429724

IUPAC1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene
SMILESC=C(CC)c1cccc(F)c1C(C)(C)C(C)(C)C
InChIInChI=1S/C17H25F/c1-8-12(2)13-10-9-11-14(18)15(13)17(6,7)16(3,4)5/h9-11H,2,8H2,1,3-7H3
InChIKeyVOVUGIIXGBUQAD-UHFFFAOYSA-N
MW248.38 g/mol
LogP5.57
Rot. Bonds3

About 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene

1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene (PubChem CID 146429724) has the molecular formula C17H25F and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene
PubChem CID146429724
Molecular FormulaC17H25F
Molecular Weight248.38 g/mol
Exact Mass248.19
IUPAC Name1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene
SMILESC=C(CC)c1cccc(F)c1C(C)(C)C(C)(C)C
InChIInChI=1S/C17H25F/c1-8-12(2)13-10-9-11-14(18)15(13)17(6,7)16(3,4)5/h9-11H,2,8H2,1,3-7H3
InChIKeyVOVUGIIXGBUQAD-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
CID 168948597
1-fluoro-2-(2,3,3-trimethylbutan-2-yl)-3-[(4Z,6Z)-3,4,8-trimethylnona-1,4,6-trien-2-yl]benzene
CID 166648060
1-but-1-en-2-yl-3-chloro-2-fluorobenzene
CID 169245577
1-(2-tert-butyl-3-fluorophenyl)ethenamine
CID 121406130
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
2-but-1-en-2-ylaniline
CID 10582919
2-tert-butyl-3-fluorobenzamide
CID 118328410
(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
CID 170017589
2-(2,3-difluorophenyl)prop-2-en-1-ol
CID 118140885
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
2-tert-butyl-1-fluoro-3-(1,1,3,3,3-pentadeuterioprop-1-en-2-yl)benzene
CID 168724784
1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene
CID 18993725

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene?
The IUPAC name of 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene (CID 146429724) is 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene.
What is the SMILES notation for 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene?
The canonical SMILES for 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene is C=C(CC)c1cccc(F)c1C(C)(C)C(C)(C)C.
What is the InChIKey of 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene?
The InChIKey is VOVUGIIXGBUQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F/c1-8-12(2)13-10-9-11-14(18)15(13)17(6,7)16(3,4)5/h9-11H,2,8H2,1,3-7H3.
What are the key properties of 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene?
1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene has a molecular weight of 248.38 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene is sourced from PubChem (CID 146429724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).