but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene

C18H27F — CID 156646039

IUPACbut-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene
SMILESC=CCC.CCC(C)/C=C(/C)c1cc(F)ccc1C
InChIInChI=1S/C14H19F.C4H8/c1-5-10(2)8-12(4)14-9-13(15)7-6-11(14)3;1-3-4-2/h6-10H,5H2,1-4H3;3H,1,4H2,2H3/b12-8-;
InChIKeySWSFPDZNHSNHPK-JCTPKUEWSA-N
MW262.41 g/mol
LogP6.17
Rot. Bonds4

About but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene

but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene (PubChem CID 156646039) has the molecular formula C18H27F and a molecular weight of 262.41 g/mol. Its IUPAC name is but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene.

Molecular Properties

Compound Namebut-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene
PubChem CID156646039
Molecular FormulaC18H27F
Molecular Weight262.41 g/mol
Exact Mass262.21
IUPAC Namebut-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene
SMILESC=CCC.CCC(C)/C=C(/C)c1cc(F)ccc1C
InChIInChI=1S/C14H19F.C4H8/c1-5-10(2)8-12(4)14-9-13(15)7-6-11(14)3;1-3-4-2/h6-10H,5H2,1-4H3;3H,1,4H2,2H3/b12-8-;
InChIKeySWSFPDZNHSNHPK-JCTPKUEWSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.41
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-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

4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
ethyl 2-(5-fluoro-2-methylbenzoyl)-3-methylbutanoate
CID 62388777
(E)-1-(5-fluoro-2-methylphenyl)pent-2-en-1-one
CID 103454335
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
2-[[(E)-2-amino-1-[3-(aminomethyl)phenyl]hex-3-en-3-yl]amino]acetaldehyde;but-1-ene;1-cyclobutyl-2-methoxyethanone;2-(1-cyclopropylideneethyl)-1-methylpyrrolidine;2,2-dimethylpropane;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene;methylcyclobutane;sulfane
CID 156646004
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
(2S,3S)-2-[(5-fluoro-2-methylbenzoyl)amino]-3-methylpentanoic acid
CID 63050156
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149
2-[chloro-(5-fluoro-2-methylphenyl)methylidene]butanenitrile
CID 76986097
1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
CID 83157845
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571

Frequently Asked Questions

What is the IUPAC name of but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene?
The IUPAC name of but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene (CID 156646039) is but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene.
What is the SMILES notation for but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene?
The canonical SMILES for but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene is C=CCC.CCC(C)/C=C(/C)c1cc(F)ccc1C.
What is the InChIKey of but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene?
The InChIKey is SWSFPDZNHSNHPK-JCTPKUEWSA-N. The full InChI is InChI=1S/C14H19F.C4H8/c1-5-10(2)8-12(4)14-9-13(15)7-6-11(14)3;1-3-4-2/h6-10H,5H2,1-4H3;3H,1,4H2,2H3/b12-8-;.
What are the key properties of but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene?
but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene has a molecular weight of 262.41 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene is sourced from PubChem (CID 156646039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).