but-2-yne;cyclohexane;3,3-difluoropiperidine

C15H27F2N — CID 144886146

IUPACbut-2-yne;cyclohexane;3,3-difluoropiperidine
SMILESC1CCCCC1.CC#CC.FC1(F)CCCNC1
InChIInChI=1S/C6H12.C5H9F2N.C4H6/c1-2-4-6-5-3-1;6-5(7)2-1-3-8-4-5;1-3-4-2/h1-6H2;8H,1-4H2;1-2H3
InChIKeyWEICGYMBUMSAKI-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.38
Rot. Bonds

About but-2-yne;cyclohexane;3,3-difluoropiperidine

but-2-yne;cyclohexane;3,3-difluoropiperidine (PubChem CID 144886146) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is but-2-yne;cyclohexane;3,3-difluoropiperidine.

Molecular Properties

Compound Namebut-2-yne;cyclohexane;3,3-difluoropiperidine
PubChem CID144886146
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Namebut-2-yne;cyclohexane;3,3-difluoropiperidine
SMILESC1CCCCC1.CC#CC.FC1(F)CCCNC1
InChIInChI=1S/C6H12.C5H9F2N.C4H6/c1-2-4-6-5-3-1;6-5(7)2-1-3-8-4-5;1-3-4-2/h1-6H2;8H,1-4H2;1-2H3
InChIKeyWEICGYMBUMSAKI-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze but-2-yne;cyclohexane;3,3-difluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoroazepane;ethane
CID 142117389
3,3-difluoroazepane;hydrochloride
CID 118798396
3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
CID 145216920
3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
CID 174927195
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
4,4-difluorodiazepane
CID 176727896
6,6-difluoro-1,4-diazepane;hydrochloride
CID 169219655
2,2-difluoro-6-azaspiro[3.5]nonane;hydrochloride
CID 163197098
3-fluoro-3-iodopiperidine
CID 126739580
(3R)-3-fluoro-3-methylazepane
CID 124708989
3-fluoro-3-propylpiperidine
CID 83815245
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901

Frequently Asked Questions

What is the IUPAC name of but-2-yne;cyclohexane;3,3-difluoropiperidine?
The IUPAC name of but-2-yne;cyclohexane;3,3-difluoropiperidine (CID 144886146) is but-2-yne;cyclohexane;3,3-difluoropiperidine.
What is the SMILES notation for but-2-yne;cyclohexane;3,3-difluoropiperidine?
The canonical SMILES for but-2-yne;cyclohexane;3,3-difluoropiperidine is C1CCCCC1.CC#CC.FC1(F)CCCNC1.
What is the InChIKey of but-2-yne;cyclohexane;3,3-difluoropiperidine?
The InChIKey is WEICGYMBUMSAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H9F2N.C4H6/c1-2-4-6-5-3-1;6-5(7)2-1-3-8-4-5;1-3-4-2/h1-6H2;8H,1-4H2;1-2H3.
What are the key properties of but-2-yne;cyclohexane;3,3-difluoropiperidine?
but-2-yne;cyclohexane;3,3-difluoropiperidine has a molecular weight of 259.38 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;cyclohexane;3,3-difluoropiperidine is sourced from PubChem (CID 144886146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).