4,4-difluoropiperidine;trichloro(deuterio)methane

C6H10Cl3F2N — CID 158251836

IUPAC4,4-difluoropiperidine;trichloro(deuterio)methane
SMILESFC1(F)CCNCC1.[2H]C(Cl)(Cl)Cl
InChIInChI=1S/C5H9F2N.CHCl3/c6-5(7)1-3-8-4-2-5;2-1(3)4/h8H,1-4H2;1H/i;1D
InChIKeyGGURHSSMTPPNPI-DIYDOPDJSA-N
MW241.51 g/mol
LogP2.99
Rot. Bonds

About 4,4-difluoropiperidine;trichloro(deuterio)methane

4,4-difluoropiperidine;trichloro(deuterio)methane (PubChem CID 158251836) has the molecular formula C6H10Cl3F2N and a molecular weight of 241.51 g/mol. Its IUPAC name is 4,4-difluoropiperidine;trichloro(deuterio)methane.

Molecular Properties

Compound Name4,4-difluoropiperidine;trichloro(deuterio)methane
PubChem CID158251836
Molecular FormulaC6H10Cl3F2N
Molecular Weight241.51 g/mol
Exact Mass239.99
IUPAC Name4,4-difluoropiperidine;trichloro(deuterio)methane
SMILESFC1(F)CCNCC1.[2H]C(Cl)(Cl)Cl
InChIInChI=1S/C5H9F2N.CHCl3/c6-5(7)1-3-8-4-2-5;2-1(3)4/h8H,1-4H2;1H/i;1D
InChIKeyGGURHSSMTPPNPI-DIYDOPDJSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoropiperidine;methane
CID 143607085
3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
CID 159412797
aziridine;chloroform
CID 121434621
ethane;4-fluoro-4-methylpiperidine
CID 142139578
tert-butyl formate;4,4-difluoropiperidine
CID 174784442
9,9-difluoro-2,6-diazaspiro[4.5]decane
CID 115014678
1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride
CID 122163593
cobalt;1,1-difluorocyclopropane
CID 143921033
(3R)-3-fluoro-3-propan-2-ylpyrrolidine
CID 129375315
aziridine;1,1-dibromoethane
CID 175898882
4-methoxy-4-propan-2-ylpiperidine;hydrochloride
CID 68569417
4-fluoro-4-(4-methylpentyl)piperidine
CID 112563310

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine;trichloro(deuterio)methane?
The IUPAC name of 4,4-difluoropiperidine;trichloro(deuterio)methane (CID 158251836) is 4,4-difluoropiperidine;trichloro(deuterio)methane.
What is the SMILES notation for 4,4-difluoropiperidine;trichloro(deuterio)methane?
The canonical SMILES for 4,4-difluoropiperidine;trichloro(deuterio)methane is FC1(F)CCNCC1.[2H]C(Cl)(Cl)Cl.
What is the InChIKey of 4,4-difluoropiperidine;trichloro(deuterio)methane?
The InChIKey is GGURHSSMTPPNPI-DIYDOPDJSA-N. The full InChI is InChI=1S/C5H9F2N.CHCl3/c6-5(7)1-3-8-4-2-5;2-1(3)4/h8H,1-4H2;1H/i;1D.
What are the key properties of 4,4-difluoropiperidine;trichloro(deuterio)methane?
4,4-difluoropiperidine;trichloro(deuterio)methane has a molecular weight of 241.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine;trichloro(deuterio)methane is sourced from PubChem (CID 158251836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).