1,5-difluoro-6-propoxyhex-1-ene

C9H16F2O — CID 173104646

IUPAC1,5-difluoro-6-propoxyhex-1-ene
SMILESCCCOCC(F)CCC=CF
InChIInChI=1S/C9H16F2O/c1-2-7-12-8-9(11)5-3-4-6-10/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyPAGDBZXDAVNXIS-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.01
Rot. Bonds7

About 1,5-difluoro-6-propoxyhex-1-ene

1,5-difluoro-6-propoxyhex-1-ene (PubChem CID 173104646) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,5-difluoro-6-propoxyhex-1-ene.

Molecular Properties

Compound Name1,5-difluoro-6-propoxyhex-1-ene
PubChem CID173104646
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,5-difluoro-6-propoxyhex-1-ene
SMILESCCCOCC(F)CCC=CF
InChIInChI=1S/C9H16F2O/c1-2-7-12-8-9(11)5-3-4-6-10/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyPAGDBZXDAVNXIS-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Pent-4-enoxyhexane
CID 15643642
6-Ethoxyhex-1-ene
CID 17825069
5-Hexenyl butyl ether
CID 21186914
Vinylbutyl vinylbutyl ether
CID 57203039
6-Fluoro-7-methoxyhept-1-ene
CID 23282166
1-But-3-enoxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 53965729
(6S)-6-fluoro-7-methoxyhept-1-ene
CID 56628679
6-(Trifluoromethoxy)hex-1-ene
CID 58219566
5-(3,3,3-Trifluoropropoxy)pent-1-ene
CID 59366589
(E)-1-(2-fluoroethoxy)non-4-ene
CID 88557486
1,1-Difluoro-7-propoxyhept-1-ene
CID 90929964
6-Ethoxy-1,1-difluorohex-1-ene
CID 91078191

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-6-propoxyhex-1-ene?
The IUPAC name of 1,5-difluoro-6-propoxyhex-1-ene (CID 173104646) is 1,5-difluoro-6-propoxyhex-1-ene.
What is the SMILES notation for 1,5-difluoro-6-propoxyhex-1-ene?
The canonical SMILES for 1,5-difluoro-6-propoxyhex-1-ene is CCCOCC(F)CCC=CF.
What is the InChIKey of 1,5-difluoro-6-propoxyhex-1-ene?
The InChIKey is PAGDBZXDAVNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-2-7-12-8-9(11)5-3-4-6-10/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of 1,5-difluoro-6-propoxyhex-1-ene?
1,5-difluoro-6-propoxyhex-1-ene has a molecular weight of 178.22 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-6-propoxyhex-1-ene is sourced from PubChem (CID 173104646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).