1-ethenyl-2-fluoro-4-propan-2-yloxybenzene

C11H13FO — CID 175665867

IUPAC1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
SMILESC=Cc1ccc(OC(C)C)cc1F
InChIInChI=1S/C11H13FO/c1-4-9-5-6-10(7-11(9)12)13-8(2)3/h4-8H,1H2,2-3H3
InChIKeyGZWSCMIRBIDRRS-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.26
Rot. Bonds3

About 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene

1-ethenyl-2-fluoro-4-propan-2-yloxybenzene (PubChem CID 175665867) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
PubChem CID175665867
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
SMILESC=Cc1ccc(OC(C)C)cc1F
InChIInChI=1S/C11H13FO/c1-4-9-5-6-10(7-11(9)12)13-8(2)3/h4-8H,1H2,2-3H3
InChIKeyGZWSCMIRBIDRRS-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene 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-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene
CID 22621299
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 66845513
3-ethenyl-4-(2-ethenyl-5-propan-2-yloxyphenyl)phenol
CID 126487461
trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
CID 65202687
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175665868
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
CID 173224247

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene?
The IUPAC name of 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene (CID 175665867) is 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene?
The canonical SMILES for 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene is C=Cc1ccc(OC(C)C)cc1F.
What is the InChIKey of 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene?
The InChIKey is GZWSCMIRBIDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-4-9-5-6-10(7-11(9)12)13-8(2)3/h4-8H,1H2,2-3H3.
What are the key properties of 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene?
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene has a molecular weight of 180.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-fluoro-4-propan-2-yloxybenzene is sourced from PubChem (CID 175665867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).