2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene

C14H19FO — CID 168997622

IUPAC2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OCCC(C)C)cc1F
InChIInChI=1S/C14H19FO/c1-10(2)7-8-16-12-5-6-13(11(3)4)14(15)9-12/h5-6,9-10H,3,7-8H2,1-2,4H3
InChIKeyRNZGMNOYFAHRKU-UHFFFAOYSA-N
MW222.30 g/mol
LogP4.28
Rot. Bonds5

About 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene

2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene (PubChem CID 168997622) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene
PubChem CID168997622
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OCCC(C)C)cc1F
InChIInChI=1S/C14H19FO/c1-10(2)7-8-16-12-5-6-13(11(3)4)14(15)9-12/h5-6,9-10H,3,7-8H2,1-2,4H3
InChIKeyRNZGMNOYFAHRKU-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene 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

2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide
CID 168997178
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
trifluoro-[2-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]boranuide
CID 65203069
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
CID 168997277
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
CID 65201736
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
2-fluoro-4-(4-methoxyphenyl)-1-prop-1-en-2-ylbenzene
CID 123711032
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene?
The IUPAC name of 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene (CID 168997622) is 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OCCC(C)C)cc1F.
What is the InChIKey of 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene?
The InChIKey is RNZGMNOYFAHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10(2)7-8-16-12-5-6-13(11(3)4)14(15)9-12/h5-6,9-10H,3,7-8H2,1-2,4H3.
What are the key properties of 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene?
2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene has a molecular weight of 222.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 168997622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).