5,5-difluorohex-2-ynylcyclohexane

C12H18F2 — CID 170854900

IUPAC5,5-difluorohex-2-ynylcyclohexane
SMILESCC(F)(F)CC#CCC1CCCCC1
InChIInChI=1S/C12H18F2/c1-12(13,14)10-6-5-9-11-7-3-2-4-8-11/h11H,2-4,7-10H2,1H3
InChIKeyLEDPHROTAIUYLS-UHFFFAOYSA-N
MW200.27 g/mol
LogP4.01
Rot. Bonds2

About 5,5-difluorohex-2-ynylcyclohexane

5,5-difluorohex-2-ynylcyclohexane (PubChem CID 170854900) has the molecular formula C12H18F2 and a molecular weight of 200.27 g/mol. Its IUPAC name is 5,5-difluorohex-2-ynylcyclohexane.

Molecular Properties

Compound Name5,5-difluorohex-2-ynylcyclohexane
PubChem CID170854900
Molecular FormulaC12H18F2
Molecular Weight200.27 g/mol
Exact Mass200.14
IUPAC Name5,5-difluorohex-2-ynylcyclohexane
SMILESCC(F)(F)CC#CCC1CCCCC1
InChIInChI=1S/C12H18F2/c1-12(13,14)10-6-5-9-11-7-3-2-4-8-11/h11H,2-4,7-10H2,1H3
InChIKeyLEDPHROTAIUYLS-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 54.01
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

4-Ethynyl-1,1-difluorocyclohexane
CID 118008773
1,1-Difluoro-4-(prop-2-yn-1-yl)cyclohexane
CID 165647048
(1,1-Difluoroheptadec-3-yn-1-yl)cyclohexane
CID 170854910
(4,4-Difluoro-5,5-dimethylhex-2-ynyl)cyclohexane
CID 177852881
1-Cyclohexyloct-3-yne
CID 19817989
5-Cyclohexyl-2-methyl-pentin-3
CID 20823880
1,1-Difluoroethylcyclohexane
CID 14573096
1,1-Difluoro-4-pentylcyclohexane
CID 14618232
3,3-Difluoropropylcyclohexane
CID 23184748
1,1-Difluoro-4-propylcyclohexane
CID 45790543
4-Ethyl-1,1-difluorocyclohexane
CID 54772461
1,1-Difluoro-4-(2-methylpropyl)cyclohexane
CID 57989542

Frequently Asked Questions

What is the IUPAC name of 5,5-difluorohex-2-ynylcyclohexane?
The IUPAC name of 5,5-difluorohex-2-ynylcyclohexane (CID 170854900) is 5,5-difluorohex-2-ynylcyclohexane.
What is the SMILES notation for 5,5-difluorohex-2-ynylcyclohexane?
The canonical SMILES for 5,5-difluorohex-2-ynylcyclohexane is CC(F)(F)CC#CCC1CCCCC1.
What is the InChIKey of 5,5-difluorohex-2-ynylcyclohexane?
The InChIKey is LEDPHROTAIUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2/c1-12(13,14)10-6-5-9-11-7-3-2-4-8-11/h11H,2-4,7-10H2,1H3.
What are the key properties of 5,5-difluorohex-2-ynylcyclohexane?
5,5-difluorohex-2-ynylcyclohexane has a molecular weight of 200.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorohex-2-ynylcyclohexane is sourced from PubChem (CID 170854900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).