5-fluoro-2,6-dimethylhept-3-yne;methane

C10H19F — CID 161269298

IUPAC5-fluoro-2,6-dimethylhept-3-yne;methane
SMILESC.CC(C)C#CC(F)C(C)C
InChIInChI=1S/C9H15F.CH4/c1-7(2)5-6-9(10)8(3)4;/h7-9H,1-4H3;1H4
InChIKeyVDPGKFOBMWDJCG-UHFFFAOYSA-N
MW158.26 g/mol
LogP3.28
Rot. Bonds1

About 5-fluoro-2,6-dimethylhept-3-yne;methane

5-fluoro-2,6-dimethylhept-3-yne;methane (PubChem CID 161269298) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is 5-fluoro-2,6-dimethylhept-3-yne;methane.

Molecular Properties

Compound Name5-fluoro-2,6-dimethylhept-3-yne;methane
PubChem CID161269298
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name5-fluoro-2,6-dimethylhept-3-yne;methane
SMILESC.CC(C)C#CC(F)C(C)C
InChIInChI=1S/C9H15F.CH4/c1-7(2)5-6-9(10)8(3)4;/h7-9H,1-4H3;1H4
InChIKeyVDPGKFOBMWDJCG-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
silver 5-methylhexa-1,3-diyne
CID 177393925
1,1-difluoroethane
CID 6368
methane;1,1,2-trifluoropropane
CID 22325848
2,5-dimethylhex-3-yn-1-ol
CID 176598862
gold;trifluoro(methyl)phosphanium
CID 158866075
1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane
CID 176599260
1,1,1-trideuterio-4-methylpent-2-yne
CID 176599635
3-fluoro-2-methylpentane;methane
CID 158695521
(2R,3R)-2-fluoro-3,4-dimethylpentane
CID 163563398
3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
3-fluoro-2,4,5-trimethylhexane
CID 145154755

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,6-dimethylhept-3-yne;methane?
The IUPAC name of 5-fluoro-2,6-dimethylhept-3-yne;methane (CID 161269298) is 5-fluoro-2,6-dimethylhept-3-yne;methane.
What is the SMILES notation for 5-fluoro-2,6-dimethylhept-3-yne;methane?
The canonical SMILES for 5-fluoro-2,6-dimethylhept-3-yne;methane is C.CC(C)C#CC(F)C(C)C.
What is the InChIKey of 5-fluoro-2,6-dimethylhept-3-yne;methane?
The InChIKey is VDPGKFOBMWDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F.CH4/c1-7(2)5-6-9(10)8(3)4;/h7-9H,1-4H3;1H4.
What are the key properties of 5-fluoro-2,6-dimethylhept-3-yne;methane?
5-fluoro-2,6-dimethylhept-3-yne;methane has a molecular weight of 158.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,6-dimethylhept-3-yne;methane is sourced from PubChem (CID 161269298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).