1-fluoro-3-pent-2-en-2-yloxybenzene

C11H13FO — CID 91541622

IUPAC1-fluoro-3-pent-2-en-2-yloxybenzene
SMILESCCC=C(C)Oc1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-5-9(2)13-11-7-4-6-10(12)8-11/h4-8H,3H2,1-2H3
InChIKeyKMDPYMMDJLIOEB-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.52
Rot. Bonds3

About 1-fluoro-3-pent-2-en-2-yloxybenzene

1-fluoro-3-pent-2-en-2-yloxybenzene (PubChem CID 91541622) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-fluoro-3-pent-2-en-2-yloxybenzene.

Molecular Properties

Compound Name1-fluoro-3-pent-2-en-2-yloxybenzene
PubChem CID91541622
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-fluoro-3-pent-2-en-2-yloxybenzene
SMILESCCC=C(C)Oc1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-5-9(2)13-11-7-4-6-10(12)8-11/h4-8H,3H2,1-2H3
InChIKeyKMDPYMMDJLIOEB-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
CID 145145083
O-(3-fluorophenyl)hydroxylamine;propane
CID 23134075
(3-fluorophenyl) prop-2-enoate
CID 21098293
(3-fluorophenyl) propaneperoxoate
CID 174455690
1-fluoro-3-hex-3-enoxybenzene
CID 91033540
1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
CID 106440271
bis(3-fluorophenyl) hexanedioate
CID 91704929
3-(3-fluorophenyl)but-2-en-1-amine
CID 76996789
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
(3-fluorophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 175109275
2-O-(3-fluorophenyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 91720635
1-but-3-enoxy-3-fluorobenzene;methanol
CID 162380049

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pent-2-en-2-yloxybenzene?
The IUPAC name of 1-fluoro-3-pent-2-en-2-yloxybenzene (CID 91541622) is 1-fluoro-3-pent-2-en-2-yloxybenzene.
What is the SMILES notation for 1-fluoro-3-pent-2-en-2-yloxybenzene?
The canonical SMILES for 1-fluoro-3-pent-2-en-2-yloxybenzene is CCC=C(C)Oc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-pent-2-en-2-yloxybenzene?
The InChIKey is KMDPYMMDJLIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-5-9(2)13-11-7-4-6-10(12)8-11/h4-8H,3H2,1-2H3.
What are the key properties of 1-fluoro-3-pent-2-en-2-yloxybenzene?
1-fluoro-3-pent-2-en-2-yloxybenzene has a molecular weight of 180.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-pent-2-en-2-yloxybenzene is sourced from PubChem (CID 91541622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).