1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene

C14H19F — CID 91881785

IUPAC1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1ccc(CC)c(C)c1F
InChIInChI=1S/C14H19F/c1-5-12-8-9-13(7-6-10(2)3)14(15)11(12)4/h8-9H,2,5-7H2,1,3-4H3
InChIKeyIGPGXKYIPHZLIH-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.21
Rot. Bonds4

About 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene

1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene (PubChem CID 91881785) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene
PubChem CID91881785
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1ccc(CC)c(C)c1F
InChIInChI=1S/C14H19F/c1-5-12-8-9-13(7-6-10(2)3)14(15)11(12)4/h8-9H,2,5-7H2,1,3-4H3
InChIKeyIGPGXKYIPHZLIH-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene
CID 167246289
6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
CID 155697680
1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-3-one
CID 107514321
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
CID 69442758
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481
2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
CID 117337325
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
CID 66619297
1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene
CID 177342818

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene?
The IUPAC name of 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene (CID 91881785) is 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene?
The canonical SMILES for 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene is C=C(C)CCc1ccc(CC)c(C)c1F.
What is the InChIKey of 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene?
The InChIKey is IGPGXKYIPHZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-5-12-8-9-13(7-6-10(2)3)14(15)11(12)4/h8-9H,2,5-7H2,1,3-4H3.
What are the key properties of 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene?
1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene has a molecular weight of 206.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 91881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).