1,1,1-trifluoro-4-methyldec-2-yne

C11H17F3 — CID 89106520

IUPAC1,1,1-trifluoro-4-methyldec-2-yne
SMILESCCCCCCC(C)C#CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-3-4-5-6-7-10(2)8-9-11(12,13)14/h10H,3-7H2,1-2H3
InChIKeyQWEOWWVFXAOHRA-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.16
Rot. Bonds5

About 1,1,1-trifluoro-4-methyldec-2-yne

1,1,1-trifluoro-4-methyldec-2-yne (PubChem CID 89106520) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyldec-2-yne.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyldec-2-yne
PubChem CID89106520
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1,1,1-trifluoro-4-methyldec-2-yne
SMILESCCCCCCC(C)C#CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-3-4-5-6-7-10(2)8-9-11(12,13)14/h10H,3-7H2,1-2H3
InChIKeyQWEOWWVFXAOHRA-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.16
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

(4S)-1,1,1-trifluoronon-2-yn-4-ol
CID 10535800
1,1,1-trifluoroundec-2-yne
CID 87327647
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
(3R)-3-methyloct-1-yne
CID 59216928
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
CID 172743472
7-(1,1,1-trifluoropropan-2-yl)tetradecane
CID 155261699
1,1,1-trifluoro-4-methyldecane
CID 147899191
heptadecan-2-ylphosphane
CID 154117788
octadecane-8,11-diol
CID 101412726
2-fluorohenicosane
CID 91354486

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyldec-2-yne?
The IUPAC name of 1,1,1-trifluoro-4-methyldec-2-yne (CID 89106520) is 1,1,1-trifluoro-4-methyldec-2-yne.
What is the SMILES notation for 1,1,1-trifluoro-4-methyldec-2-yne?
The canonical SMILES for 1,1,1-trifluoro-4-methyldec-2-yne is CCCCCCC(C)C#CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyldec-2-yne?
The InChIKey is QWEOWWVFXAOHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-3-4-5-6-7-10(2)8-9-11(12,13)14/h10H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyldec-2-yne?
1,1,1-trifluoro-4-methyldec-2-yne has a molecular weight of 206.25 g/mol, XLogP of 4.16, 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-methyldec-2-yne is sourced from PubChem (CID 89106520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).