2-fluoro-1-phenyloct-2-en-1-one

C14H17FO — CID 71437932

IUPAC2-fluoro-1-phenyloct-2-en-1-one
SMILESCCCCCC=C(F)C(=O)c1ccccc1
InChIInChI=1S/C14H17FO/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyPBVPKVAQYFUYCJ-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.30
Rot. Bonds6

About 2-fluoro-1-phenyloct-2-en-1-one

2-fluoro-1-phenyloct-2-en-1-one (PubChem CID 71437932) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-fluoro-1-phenyloct-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-phenyloct-2-en-1-one
PubChem CID71437932
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name2-fluoro-1-phenyloct-2-en-1-one
SMILESCCCCCC=C(F)C(=O)c1ccccc1
InChIInChI=1S/C14H17FO/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyPBVPKVAQYFUYCJ-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-phenylnon-2-en-1-one
CID 57359358
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-phenyloct-2-enoate
CID 13480316
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
2-methylidene-3-phenylpentadec-3-enoic acid
CID 173433736
2-phenylundec-2-ene-1-thiol
CID 175069404
(Z)-2-fluorohept-2-enoic acid
CID 14691011
hexane;1-phenylethanone
CID 160797049
1-fluoronona-1,2-dienylbenzene
CID 174565883
decanal;1-phenylethanone
CID 161488656
[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
CID 23237157
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyloct-2-en-1-one?
The IUPAC name of 2-fluoro-1-phenyloct-2-en-1-one (CID 71437932) is 2-fluoro-1-phenyloct-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-phenyloct-2-en-1-one?
The canonical SMILES for 2-fluoro-1-phenyloct-2-en-1-one is CCCCCC=C(F)C(=O)c1ccccc1.
What is the InChIKey of 2-fluoro-1-phenyloct-2-en-1-one?
The InChIKey is PBVPKVAQYFUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-11H,2-4,8H2,1H3.
What are the key properties of 2-fluoro-1-phenyloct-2-en-1-one?
2-fluoro-1-phenyloct-2-en-1-one has a molecular weight of 220.29 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyloct-2-en-1-one is sourced from PubChem (CID 71437932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).