19,19,19-trifluorononadec-1-en-3-one

C19H33F3O — CID 91134124

IUPAC19,19,19-trifluorononadec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C19H33F3O/c1-2-18(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20,21)22/h2H,1,3-17H2
InChIKeyTZSVBSYOAKNWAP-UHFFFAOYSA-N
MW334.47 g/mol
LogP7.16
Rot. Bonds16

About 19,19,19-trifluorononadec-1-en-3-one

19,19,19-trifluorononadec-1-en-3-one (PubChem CID 91134124) has the molecular formula C19H33F3O and a molecular weight of 334.47 g/mol. Its IUPAC name is 19,19,19-trifluorononadec-1-en-3-one.

Molecular Properties

Compound Name19,19,19-trifluorononadec-1-en-3-one
PubChem CID91134124
Molecular FormulaC19H33F3O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name19,19,19-trifluorononadec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C19H33F3O/c1-2-18(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20,21)22/h2H,1,3-17H2
InChIKeyTZSVBSYOAKNWAP-UHFFFAOYSA-N
XLogP7.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.47
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 9840659
1,1,1-Trifluoro-nonadec-10-en-2-one
CID 5353845
1-Hexadecen-3-one
CID 13310112
1,1,1-Trifluoroicos-11-en-2-one
CID 53437868
1-Octadecen-3-one
CID 13599362
Oleyltrifluoromethylketone
CID 10871769
1,1,1-Trifluoroundec-10-en-2-one
CID 71485099
1,1,1-Trifluorotridec-12-en-2-one
CID 11322666
3,3-Difluorooctadec-13-en-2-one
CID 85999754
1,1,1-Trifluoro-(z)-14-nonadecen-2-one
CID 101614391
4,4-Difluorotrideca-1,2-dien-6-one
CID 168301382
(Z)-1,1-difluorononadec-10-en-2-one
CID 176437953

Frequently Asked Questions

What is the IUPAC name of 19,19,19-trifluorononadec-1-en-3-one?
The IUPAC name of 19,19,19-trifluorononadec-1-en-3-one (CID 91134124) is 19,19,19-trifluorononadec-1-en-3-one.
What is the SMILES notation for 19,19,19-trifluorononadec-1-en-3-one?
The canonical SMILES for 19,19,19-trifluorononadec-1-en-3-one is C=CC(=O)CCCCCCCCCCCCCCCC(F)(F)F.
What is the InChIKey of 19,19,19-trifluorononadec-1-en-3-one?
The InChIKey is TZSVBSYOAKNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3O/c1-2-18(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20,21)22/h2H,1,3-17H2.
What are the key properties of 19,19,19-trifluorononadec-1-en-3-one?
19,19,19-trifluorononadec-1-en-3-one has a molecular weight of 334.47 g/mol, XLogP of 7.16, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19,19-trifluorononadec-1-en-3-one is sourced from PubChem (CID 91134124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).