2-fluoro-5-propylocta-1,7-diene

C11H19F — CID 167182479

IUPAC2-fluoro-5-propylocta-1,7-diene
SMILESC=CCC(CCC)CCC(=C)F
InChIInChI=1S/C11H19F/c1-4-6-11(7-5-2)9-8-10(3)12/h4,11H,1,3,5-9H2,2H3
InChIKeyAVYFPHPQHPMGCN-UHFFFAOYSA-N
MW170.27 g/mol
LogP4.24
Rot. Bonds7

About 2-fluoro-5-propylocta-1,7-diene

2-fluoro-5-propylocta-1,7-diene (PubChem CID 167182479) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 2-fluoro-5-propylocta-1,7-diene.

Molecular Properties

Compound Name2-fluoro-5-propylocta-1,7-diene
PubChem CID167182479
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name2-fluoro-5-propylocta-1,7-diene
SMILESC=CCC(CCC)CCC(=C)F
InChIInChI=1S/C11H19F/c1-4-6-11(7-5-2)9-8-10(3)12/h4,11H,1,3,5-9H2,2H3
InChIKeyAVYFPHPQHPMGCN-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 54.24
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

2-propylpent-4-en-1-ol
CID 15525342
(2R)-2-propylpent-4-en-1-ol
CID 102443891
6,6-dimethyl-4-propylhept-1-ene
CID 123561770
17-prop-2-enyltetratriacontane
CID 173452630
5-prop-2-enylnonan-2-ol
CID 91603961
5-prop-2-enyldodecanoic acid
CID 90887636
4-prop-2-enylpentadec-1-ene
CID 54427529
(4S)-4-ethyloct-1-ene
CID 129373406
5-prop-2-enylnona-1,8-diene
CID 54537373
ethene;4-ethylhex-1-ene
CID 159399050
ethane;5-methyloct-1-en-4-ol
CID 142059047
9-propyldodec-1-ene
CID 174048054

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-propylocta-1,7-diene?
The IUPAC name of 2-fluoro-5-propylocta-1,7-diene (CID 167182479) is 2-fluoro-5-propylocta-1,7-diene.
What is the SMILES notation for 2-fluoro-5-propylocta-1,7-diene?
The canonical SMILES for 2-fluoro-5-propylocta-1,7-diene is C=CCC(CCC)CCC(=C)F.
What is the InChIKey of 2-fluoro-5-propylocta-1,7-diene?
The InChIKey is AVYFPHPQHPMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-4-6-11(7-5-2)9-8-10(3)12/h4,11H,1,3,5-9H2,2H3.
What are the key properties of 2-fluoro-5-propylocta-1,7-diene?
2-fluoro-5-propylocta-1,7-diene has a molecular weight of 170.27 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-propylocta-1,7-diene is sourced from PubChem (CID 167182479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).