6,6,6-trifluorohex-2-yne

C6H7F3 — CID 87758944

IUPAC6,6,6-trifluorohex-2-yne
SMILESCC#CCCC(F)(F)F
InChIInChI=1S/C6H7F3/c1-2-3-4-5-6(7,8)9/h4-5H2,1H3
InChIKeyMTDOKLLVBVFAIQ-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.35
Rot. Bonds1

About 6,6,6-trifluorohex-2-yne

6,6,6-trifluorohex-2-yne (PubChem CID 87758944) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 6,6,6-trifluorohex-2-yne.

Molecular Properties

Compound Name6,6,6-trifluorohex-2-yne
PubChem CID87758944
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name6,6,6-trifluorohex-2-yne
SMILESCC#CCCC(F)(F)F
InChIInChI=1S/C6H7F3/c1-2-3-4-5-6(7,8)9/h4-5H2,1H3
InChIKeyMTDOKLLVBVFAIQ-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.35
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

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4-fluoro-4-(methoxymethyl)non-7-yn-1-amine
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undeca-2,9-diyne
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1,1,1-trifluoro-N-propyloct-6-yn-4-amine
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1-(1,1-difluoroethoxy)but-2-yne
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3,3-dimethyl-N-propyloct-6-yn-1-amine
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N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-yn-1-amine
CID 116643936
N-but-2-ynyl-4,4,4-trifluorobutan-2-amine
CID 103905896
N-but-2-ynyl-3,3-difluorobutan-1-amine
CID 131227219
1,1,1-trifluorohept-5-yn-3-ol
CID 62311577
N-methyl-1-(2,2,2-trifluoroethoxy)hept-5-yn-2-amine
CID 103216232
CID 58250159
CID 58250159

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohex-2-yne?
The IUPAC name of 6,6,6-trifluorohex-2-yne (CID 87758944) is 6,6,6-trifluorohex-2-yne.
What is the SMILES notation for 6,6,6-trifluorohex-2-yne?
The canonical SMILES for 6,6,6-trifluorohex-2-yne is CC#CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohex-2-yne?
The InChIKey is MTDOKLLVBVFAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c1-2-3-4-5-6(7,8)9/h4-5H2,1H3.
What are the key properties of 6,6,6-trifluorohex-2-yne?
6,6,6-trifluorohex-2-yne has a molecular weight of 136.12 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohex-2-yne is sourced from PubChem (CID 87758944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).