1,1,1-trifluoro-4-methylideneoctane

C9H15F3 — CID 146018304

IUPAC1,1,1-trifluoro-4-methylideneoctane
SMILESC=C(CCCC)CCC(F)(F)F
InChIInChI=1S/C9H15F3/c1-3-4-5-8(2)6-7-9(10,11)12/h2-7H2,1H3
InChIKeyYCMPUHQPEGOSEM-UHFFFAOYSA-N
MW180.21 g/mol
LogP4.08
Rot. Bonds5

About 1,1,1-trifluoro-4-methylideneoctane

1,1,1-trifluoro-4-methylideneoctane (PubChem CID 146018304) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylideneoctane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylideneoctane
PubChem CID146018304
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name1,1,1-trifluoro-4-methylideneoctane
SMILESC=C(CCCC)CCC(F)(F)F
InChIInChI=1S/C9H15F3/c1-3-4-5-8(2)6-7-9(10,11)12/h2-7H2,1H3
InChIKeyYCMPUHQPEGOSEM-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 54.08
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

3-Ethyl-1,1-difluoronona-1,2-diene
CID 12161213
2-Methyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-undecene
CID 12045643
Hexofluoropropylene
CID 129703938
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
Fluoromethylidenecyclododecane
CID 101097548
4,4-Difluoro-3-methylidenetridec-1-ene
CID 135010777
2-(Trifluoromethyl)dodec-1-ene
CID 135085774
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluoro-2-methyldodeca-2,3-diene
CID 139264108
1,1,1-Trifluoro-5-methylenenonane
CID 146018294
1,1,1-Trifluoro-6-methylenedecane
CID 146018318
5-(2,2-Difluoroethenylidene)undecane
CID 12161215
2-(Trifluoromethyl)dec-1-ene
CID 14295680

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methylideneoctane?
The IUPAC name of 1,1,1-trifluoro-4-methylideneoctane (CID 146018304) is 1,1,1-trifluoro-4-methylideneoctane.
What is the SMILES notation for 1,1,1-trifluoro-4-methylideneoctane?
The canonical SMILES for 1,1,1-trifluoro-4-methylideneoctane is C=C(CCCC)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylideneoctane?
The InChIKey is YCMPUHQPEGOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-3-4-5-8(2)6-7-9(10,11)12/h2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-4-methylideneoctane?
1,1,1-trifluoro-4-methylideneoctane has a molecular weight of 180.21 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylideneoctane is sourced from PubChem (CID 146018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).