acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene

C14H18F2O2 — CID 144811099

IUPACacetylene;cyclohexane-1,4-diol;1,2-difluorobenzene
SMILESC#C.Fc1ccccc1F.OC1CCC(O)CC1
InChIInChI=1S/C6H4F2.C6H12O2.C2H2/c7-5-3-1-2-4-6(5)8;7-5-1-2-6(8)4-3-5;1-2/h1-4H;5-8H,1-4H2;1-2H
InChIKeyCZYBQRIXIYHASX-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.50
Rot. Bonds

About acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene

acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene (PubChem CID 144811099) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene.

Molecular Properties

Compound Nameacetylene;cyclohexane-1,4-diol;1,2-difluorobenzene
PubChem CID144811099
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Nameacetylene;cyclohexane-1,4-diol;1,2-difluorobenzene
SMILESC#C.Fc1ccccc1F.OC1CCC(O)CC1
InChIInChI=1S/C6H4F2.C6H12O2.C2H2/c7-5-3-1-2-4-6(5)8;7-5-1-2-6(8)4-3-5;1-2/h1-4H;5-8H,1-4H2;1-2H
InChIKeyCZYBQRIXIYHASX-UHFFFAOYSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
3-(2-fluorophenyl)sulfonylcyclopentan-1-ol
CID 106585240
4-phenyliminocyclohexan-1-ol
CID 19962596
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
cyclohexane-1,4-diol
CID 11162
2-(2-fluorophenyl)cyclopentan-1-ol
CID 62596714
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
1,2-difluorobenzene;hydrazine;hydrobromide
CID 174886946
cyclopropane;1,2-difluorobenzene;formic acid
CID 145194538

Frequently Asked Questions

What is the IUPAC name of acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene?
The IUPAC name of acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene (CID 144811099) is acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene.
What is the SMILES notation for acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene?
The canonical SMILES for acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene is C#C.Fc1ccccc1F.OC1CCC(O)CC1.
What is the InChIKey of acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene?
The InChIKey is CZYBQRIXIYHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C6H12O2.C2H2/c7-5-3-1-2-4-6(5)8;7-5-1-2-6(8)4-3-5;1-2/h1-4H;5-8H,1-4H2;1-2H.
What are the key properties of acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene?
acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene has a molecular weight of 256.29 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;cyclohexane-1,4-diol;1,2-difluorobenzene is sourced from PubChem (CID 144811099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).