6-fluoro-5-propan-2-yloct-1-ene

C11H21F — CID 155037392

IUPAC6-fluoro-5-propan-2-yloct-1-ene
SMILESC=CCCC(C(C)C)C(F)CC
InChIInChI=1S/C11H21F/c1-5-7-8-10(9(3)4)11(12)6-2/h5,9-11H,1,6-8H2,2-4H3
InChIKeyRLFAXTXUPHJTNE-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.97
Rot. Bonds6

About 6-fluoro-5-propan-2-yloct-1-ene

6-fluoro-5-propan-2-yloct-1-ene (PubChem CID 155037392) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 6-fluoro-5-propan-2-yloct-1-ene.

Molecular Properties

Compound Name6-fluoro-5-propan-2-yloct-1-ene
PubChem CID155037392
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name6-fluoro-5-propan-2-yloct-1-ene
SMILESC=CCCC(C(C)C)C(F)CC
InChIInChI=1S/C11H21F/c1-5-7-8-10(9(3)4)11(12)6-2/h5,9-11H,1,6-8H2,2-4H3
InChIKeyRLFAXTXUPHJTNE-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.97
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

4,5-Dimethyl-1-hexene
CID 27683
3,4-Dimethyl-1-hexene
CID 140134
1-Heptene, 5-methyl-
CID 99888
3,4,5-Trimethyl-1-hexene
CID 41976
3,4-Dimethyl-1-decene
CID 545635
4-Methylhept-1-ene
CID 518713
1-Octene, 6-methyl-
CID 518716
4-Methyl-1-octene
CID 518717
3-Ethyl-1-hexene
CID 103003
3-Ethyl-4-methylpent-1-ene
CID 143842
1-Nonene, 5-methyl
CID 528454
(5S)-5-Methylhept-1-ene
CID 12567238

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-propan-2-yloct-1-ene?
The IUPAC name of 6-fluoro-5-propan-2-yloct-1-ene (CID 155037392) is 6-fluoro-5-propan-2-yloct-1-ene.
What is the SMILES notation for 6-fluoro-5-propan-2-yloct-1-ene?
The canonical SMILES for 6-fluoro-5-propan-2-yloct-1-ene is C=CCCC(C(C)C)C(F)CC.
What is the InChIKey of 6-fluoro-5-propan-2-yloct-1-ene?
The InChIKey is RLFAXTXUPHJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-5-7-8-10(9(3)4)11(12)6-2/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 6-fluoro-5-propan-2-yloct-1-ene?
6-fluoro-5-propan-2-yloct-1-ene has a molecular weight of 172.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-propan-2-yloct-1-ene is sourced from PubChem (CID 155037392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).