1,1,1-trifluoro-2-methylnon-3-yne

C10H15F3 — CID 169126016

IUPAC1,1,1-trifluoro-2-methylnon-3-yne
SMILESCCCCCC#CC(C)C(F)(F)F
InChIInChI=1S/C10H15F3/c1-3-4-5-6-7-8-9(2)10(11,12)13/h9H,3-6H2,1-2H3
InChIKeyYOXMYCNRJHPICW-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.77
Rot. Bonds3

About 1,1,1-trifluoro-2-methylnon-3-yne

1,1,1-trifluoro-2-methylnon-3-yne (PubChem CID 169126016) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylnon-3-yne.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylnon-3-yne
PubChem CID169126016
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1,1,1-trifluoro-2-methylnon-3-yne
SMILESCCCCCC#CC(C)C(F)(F)F
InChIInChI=1S/C10H15F3/c1-3-4-5-6-7-8-9(2)10(11,12)13/h9H,3-6H2,1-2H3
InChIKeyYOXMYCNRJHPICW-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

non-3-yn-2-amine
CID 85230211
(2R)-dec-3-yn-2-ol
CID 129384454
dodec-3-yn-2-amine
CID 135042011
(2S)-heptadec-3-yn-2-ol
CID 58473313
1-chloro-1-fluoronon-2-yne
CID 11658373
1,1,1-trifluoroundec-2-yne
CID 87327647
henicos-8-yne
CID 22224321
trichloro-[(2R)-undec-3-yn-2-yl]stannane
CID 10339475
2,2-dimethylheptadec-4-yn-3-ol
CID 177304706
2-methylundeca-3,5-diyne
CID 90780674
1-fluorohept-1-yne
CID 123609155
tetracos-13-yn-12-ol
CID 169488986

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylnon-3-yne?
The IUPAC name of 1,1,1-trifluoro-2-methylnon-3-yne (CID 169126016) is 1,1,1-trifluoro-2-methylnon-3-yne.
What is the SMILES notation for 1,1,1-trifluoro-2-methylnon-3-yne?
The canonical SMILES for 1,1,1-trifluoro-2-methylnon-3-yne is CCCCCC#CC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylnon-3-yne?
The InChIKey is YOXMYCNRJHPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-3-4-5-6-7-8-9(2)10(11,12)13/h9H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methylnon-3-yne?
1,1,1-trifluoro-2-methylnon-3-yne has a molecular weight of 192.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylnon-3-yne is sourced from PubChem (CID 169126016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).