5-(difluoromethylidene)nonane

C10H18F2 — CID 86233125

IUPAC5-(difluoromethylidene)nonane
SMILESCCCCC(CCCC)=C(F)F
InChIInChI=1S/C10H18F2/c1-3-5-7-9(10(11)12)8-6-4-2/h3-8H2,1-2H3
InChIKeySABKEXMTYSLMGE-UHFFFAOYSA-N
MW176.25 g/mol
LogP4.52
Rot. Bonds6

About 5-(difluoromethylidene)nonane

5-(difluoromethylidene)nonane (PubChem CID 86233125) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is 5-(difluoromethylidene)nonane.

Molecular Properties

Compound Name5-(difluoromethylidene)nonane
PubChem CID86233125
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name5-(difluoromethylidene)nonane
SMILESCCCCC(CCCC)=C(F)F
InChIInChI=1S/C10H18F2/c1-3-5-7-9(10(11)12)8-6-4-2/h3-8H2,1-2H3
InChIKeySABKEXMTYSLMGE-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-dibutyltetradec-5-ene
CID 19866346
heptadecane;hypofluorous acid
CID 158426244
9,10-dioctyloctadec-9-ene
CID 10814462
2-(difluoromethylidene)pentan-1-ol
CID 167540478
(Z)-5-bromo-6-(2-bromoethyl)dec-5-ene
CID 121009730
6-butyl-7-ethyltetradec-6-ene
CID 57142303
10-butyl-11-ethyldocos-10-ene
CID 57219160
(E)-3-methyl-4-propyloct-3-ene
CID 57107532
5-ethyl-4-methylnon-4-ene
CID 143021471
(2Z,4Z)-5-ethyl-2,3-difluoro-N-methylnona-2,4-dien-4-amine
CID 167200001
(Z)-9,10-difluorooctadec-9-ene
CID 101427942
2,3-dibutylhept-2-enal
CID 13086436

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)nonane?
The IUPAC name of 5-(difluoromethylidene)nonane (CID 86233125) is 5-(difluoromethylidene)nonane.
What is the SMILES notation for 5-(difluoromethylidene)nonane?
The canonical SMILES for 5-(difluoromethylidene)nonane is CCCCC(CCCC)=C(F)F.
What is the InChIKey of 5-(difluoromethylidene)nonane?
The InChIKey is SABKEXMTYSLMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2/c1-3-5-7-9(10(11)12)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 5-(difluoromethylidene)nonane?
5-(difluoromethylidene)nonane has a molecular weight of 176.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)nonane is sourced from PubChem (CID 86233125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).