but-2-yne;1,1-difluoroethylcyclohexane

C12H20F2 — CID 169190593

IUPACbut-2-yne;1,1-difluoroethylcyclohexane
SMILESCC#CC.CC(F)(F)C1CCCCC1
InChIInChI=1S/C8H14F2.C4H6/c1-8(9,10)7-5-3-2-4-6-7;1-3-4-2/h7H,2-6H2,1H3;1-2H3
InChIKeyMOPVVWOYNDZPFM-UHFFFAOYSA-N
MW202.29 g/mol
LogP4.25
Rot. Bonds1

About but-2-yne;1,1-difluoroethylcyclohexane

but-2-yne;1,1-difluoroethylcyclohexane (PubChem CID 169190593) has the molecular formula C12H20F2 and a molecular weight of 202.29 g/mol. Its IUPAC name is but-2-yne;1,1-difluoroethylcyclohexane.

Molecular Properties

Compound Namebut-2-yne;1,1-difluoroethylcyclohexane
PubChem CID169190593
Molecular FormulaC12H20F2
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Namebut-2-yne;1,1-difluoroethylcyclohexane
SMILESCC#CC.CC(F)(F)C1CCCCC1
InChIInChI=1S/C8H14F2.C4H6/c1-8(9,10)7-5-3-2-4-6-7;1-3-4-2/h7H,2-6H2,1H3;1-2H3
InChIKeyMOPVVWOYNDZPFM-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 54.25
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

tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
CID 162282781
tert-butylcyclopentadecane
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(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane
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2-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 105431292
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
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(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
CID 161477693
(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
CID 67943908
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
[difluoro(methoxy)methyl]cyclohexane
CID 14491590
CID 173025587
CID 173025587
2-cyclononadecylpropan-2-ol
CID 126587376
1-cyclooctylethane-1,1-diol
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Frequently Asked Questions

What is the IUPAC name of but-2-yne;1,1-difluoroethylcyclohexane?
The IUPAC name of but-2-yne;1,1-difluoroethylcyclohexane (CID 169190593) is but-2-yne;1,1-difluoroethylcyclohexane.
What is the SMILES notation for but-2-yne;1,1-difluoroethylcyclohexane?
The canonical SMILES for but-2-yne;1,1-difluoroethylcyclohexane is CC#CC.CC(F)(F)C1CCCCC1.
What is the InChIKey of but-2-yne;1,1-difluoroethylcyclohexane?
The InChIKey is MOPVVWOYNDZPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2.C4H6/c1-8(9,10)7-5-3-2-4-6-7;1-3-4-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of but-2-yne;1,1-difluoroethylcyclohexane?
but-2-yne;1,1-difluoroethylcyclohexane has a molecular weight of 202.29 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;1,1-difluoroethylcyclohexane is sourced from PubChem (CID 169190593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).