1,8-difluorononane

C9H18F2 — CID 168864691

IUPAC1,8-difluorononane
SMILESCC(F)CCCCCCCF
InChIInChI=1S/C9H18F2/c1-9(11)7-5-3-2-4-6-8-10/h9H,2-8H2,1H3
InChIKeyXHXKFVIDNFXHQJ-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.65
Rot. Bonds7

About 1,8-difluorononane

1,8-difluorononane (PubChem CID 168864691) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 1,8-difluorononane.

Molecular Properties

Compound Name1,8-difluorononane
PubChem CID168864691
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name1,8-difluorononane
SMILESCC(F)CCCCCCCF
InChIInChI=1S/C9H18F2/c1-9(11)7-5-3-2-4-6-8-10/h9H,2-8H2,1H3
InChIKeyXHXKFVIDNFXHQJ-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,6-difluoroheptane
CID 139983024
6-fluoroheptan-1-amine
CID 83855129
2-fluorohenicosane
CID 91354486
(2R)-8-fluorooctan-2-ol
CID 54347912
1,7-difluorononane
CID 168864708
1-fluoro-7-methylpentacosane
CID 88638363
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
2,6-difluorooctadecane
CID 174393944
trichloro(10-fluorodecan-2-yl)silane
CID 139839795
(E)-9-fluorodec-2-ene
CID 22172002
4-fluoropentane-1-thiol
CID 87282782
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215

Frequently Asked Questions

What is the IUPAC name of 1,8-difluorononane?
The IUPAC name of 1,8-difluorononane (CID 168864691) is 1,8-difluorononane.
What is the SMILES notation for 1,8-difluorononane?
The canonical SMILES for 1,8-difluorononane is CC(F)CCCCCCCF.
What is the InChIKey of 1,8-difluorononane?
The InChIKey is XHXKFVIDNFXHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2/c1-9(11)7-5-3-2-4-6-8-10/h9H,2-8H2,1H3.
What are the key properties of 1,8-difluorononane?
1,8-difluorononane has a molecular weight of 164.24 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-difluorononane is sourced from PubChem (CID 168864691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).