5-(3,3,3-trifluoropropylidene)nonane

C12H21F3 — CID 14400285

IUPAC5-(3,3,3-trifluoropropylidene)nonane
SMILESCCCCC(=CCC(F)(F)F)CCCC
InChIInChI=1S/C12H21F3/c1-3-5-7-11(8-6-4-2)9-10-12(13,14)15/h9H,3-8,10H2,1-2H3
InChIKeyKMBGYMHHGXSDCA-UHFFFAOYSA-N
MW222.29 g/mol
LogP5.25
Rot. Bonds7

About 5-(3,3,3-trifluoropropylidene)nonane

5-(3,3,3-trifluoropropylidene)nonane (PubChem CID 14400285) has the molecular formula C12H21F3 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylidene)nonane.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylidene)nonane
PubChem CID14400285
Molecular FormulaC12H21F3
Molecular Weight222.29 g/mol
Exact Mass222.16
IUPAC Name5-(3,3,3-trifluoropropylidene)nonane
SMILESCCCCC(=CCC(F)(F)F)CCCC
InChIInChI=1S/C12H21F3/c1-3-5-7-11(8-6-4-2)9-10-12(13,14)15/h9H,3-8,10H2,1-2H3
InChIKeyKMBGYMHHGXSDCA-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.29
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-butyldec-5-ene
CID 15367252
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
4-propylnon-3-ene
CID 57321984
(Z)-5-ethyl-1-fluoronon-4-ene
CID 167034526
1,1-difluoro-1-iodohexan-2-one
CID 10422794
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325
1,1,1-trifluorooctan-4-one
CID 79404361
1,1,1-trifluoro-4-methylideneoctane
CID 146018304
5-ethyltetradec-5-ene
CID 54129215

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylidene)nonane?
The IUPAC name of 5-(3,3,3-trifluoropropylidene)nonane (CID 14400285) is 5-(3,3,3-trifluoropropylidene)nonane.
What is the SMILES notation for 5-(3,3,3-trifluoropropylidene)nonane?
The canonical SMILES for 5-(3,3,3-trifluoropropylidene)nonane is CCCCC(=CCC(F)(F)F)CCCC.
What is the InChIKey of 5-(3,3,3-trifluoropropylidene)nonane?
The InChIKey is KMBGYMHHGXSDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3/c1-3-5-7-11(8-6-4-2)9-10-12(13,14)15/h9H,3-8,10H2,1-2H3.
What are the key properties of 5-(3,3,3-trifluoropropylidene)nonane?
5-(3,3,3-trifluoropropylidene)nonane has a molecular weight of 222.29 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylidene)nonane is sourced from PubChem (CID 14400285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).