1-fluoro-2-(2-methylbut-2-enoxy)benzene

C11H13FO — CID 173024288

IUPAC1-fluoro-2-(2-methylbut-2-enoxy)benzene
SMILESCC=C(C)COc1ccccc1F
InChIInChI=1S/C11H13FO/c1-3-9(2)8-13-11-7-5-4-6-10(11)12/h3-7H,8H2,1-2H3
InChIKeyQMZJPLUCLUGAHC-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.17
Rot. Bonds3

About 1-fluoro-2-(2-methylbut-2-enoxy)benzene

1-fluoro-2-(2-methylbut-2-enoxy)benzene (PubChem CID 173024288) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-fluoro-2-(2-methylbut-2-enoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-methylbut-2-enoxy)benzene
PubChem CID173024288
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-fluoro-2-(2-methylbut-2-enoxy)benzene
SMILESCC=C(C)COc1ccccc1F
InChIInChI=1S/C11H13FO/c1-3-9(2)8-13-11-7-5-4-6-10(11)12/h3-7H,8H2,1-2H3
InChIKeyQMZJPLUCLUGAHC-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
4-(2-fluorophenoxy)butan-2-one
CID 28948853
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
(Z)-3-amino-2-[2-(2-fluorophenoxy)acetyl]but-2-enenitrile
CID 98696349
2-(2-fluorophenoxy)ethyl 3-methylbut-2-enoate
CID 78760883
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
1-fluoro-2-(2-isocyanato-2-methylpropoxy)benzene
CID 115026281
tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
CID 2263120

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methylbut-2-enoxy)benzene?
The IUPAC name of 1-fluoro-2-(2-methylbut-2-enoxy)benzene (CID 173024288) is 1-fluoro-2-(2-methylbut-2-enoxy)benzene.
What is the SMILES notation for 1-fluoro-2-(2-methylbut-2-enoxy)benzene?
The canonical SMILES for 1-fluoro-2-(2-methylbut-2-enoxy)benzene is CC=C(C)COc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-methylbut-2-enoxy)benzene?
The InChIKey is QMZJPLUCLUGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-9(2)8-13-11-7-5-4-6-10(11)12/h3-7H,8H2,1-2H3.
What are the key properties of 1-fluoro-2-(2-methylbut-2-enoxy)benzene?
1-fluoro-2-(2-methylbut-2-enoxy)benzene has a molecular weight of 180.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methylbut-2-enoxy)benzene is sourced from PubChem (CID 173024288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).