4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine

C12H14ClF2N — CID 84705381

IUPAC4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClF2N/c13-11-4-2-1-3-9(11)7-10-5-6-16-8-12(10,14)15/h1-4,10,16H,5-8H2
InChIKeyVQWDLZIHBXDHND-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.13
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine

4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine (PubChem CID 84705381) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine
PubChem CID84705381
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClF2N/c13-11-4-2-1-3-9(11)7-10-5-6-16-8-12(10,14)15/h1-4,10,16H,5-8H2
InChIKeyVQWDLZIHBXDHND-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine (CID 84705381) is 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine is FC1(F)CNCCC1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine?
The InChIKey is VQWDLZIHBXDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-11-4-2-1-3-9(11)7-10-5-6-16-8-12(10,14)15/h1-4,10,16H,5-8H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine?
4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine has a molecular weight of 245.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine is sourced from PubChem (CID 84705381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).