[(E)-3-fluoroprop-1-enoxy]methylbenzene

C10H11FO — CID 143459033

IUPAC[(E)-3-fluoroprop-1-enoxy]methylbenzene
SMILESFC/C=C/OCc1ccccc1
InChIInChI=1S/C10H11FO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-6,8H,7,9H2/b8-4+
InChIKeyPFPGSRVTOFPQOU-XBXARRHUSA-N
MW166.19 g/mol
LogP2.69
Rot. Bonds4

About [(E)-3-fluoroprop-1-enoxy]methylbenzene

[(E)-3-fluoroprop-1-enoxy]methylbenzene (PubChem CID 143459033) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is [(E)-3-fluoroprop-1-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-3-fluoroprop-1-enoxy]methylbenzene
PubChem CID143459033
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name[(E)-3-fluoroprop-1-enoxy]methylbenzene
SMILESFC/C=C/OCc1ccccc1
InChIInChI=1S/C10H11FO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-6,8H,7,9H2/b8-4+
InChIKeyPFPGSRVTOFPQOU-XBXARRHUSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.69
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

3-phenylmethoxyprop-2-enylsilane
CID 173015897
1,1,1-trifluoro-5-phenylmethoxypent-4-en-2-ol
CID 57246674
2-(3-phenylmethoxyprop-2-enyl)oxirane
CID 91184163
1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene
CID 11346163
ethenoxymethylbenzene
CID 11116115
1,3-difluoroprop-1-ene;ethoxymethylbenzene
CID 174789840
2,2-difluoroethenoxymethylbenzene
CID 53483110
(E)-1,1,1-trifluoro-4-phenylmethoxybut-3-en-2-one
CID 11053414
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
2-dichlorophosphorylethenoxymethylbenzene
CID 71442996

Frequently Asked Questions

What is the IUPAC name of [(E)-3-fluoroprop-1-enoxy]methylbenzene?
The IUPAC name of [(E)-3-fluoroprop-1-enoxy]methylbenzene (CID 143459033) is [(E)-3-fluoroprop-1-enoxy]methylbenzene.
What is the SMILES notation for [(E)-3-fluoroprop-1-enoxy]methylbenzene?
The canonical SMILES for [(E)-3-fluoroprop-1-enoxy]methylbenzene is FC/C=C/OCc1ccccc1.
What is the InChIKey of [(E)-3-fluoroprop-1-enoxy]methylbenzene?
The InChIKey is PFPGSRVTOFPQOU-XBXARRHUSA-N. The full InChI is InChI=1S/C10H11FO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-6,8H,7,9H2/b8-4+.
What are the key properties of [(E)-3-fluoroprop-1-enoxy]methylbenzene?
[(E)-3-fluoroprop-1-enoxy]methylbenzene has a molecular weight of 166.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-fluoroprop-1-enoxy]methylbenzene is sourced from PubChem (CID 143459033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).