4-(4-chlorophenyl)-3,3-difluoropiperidine

C11H12ClF2N — CID 67962435

IUPAC4-(4-chlorophenyl)-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)10-5-6-15-7-11(10,13)14/h1-4,10,15H,5-7H2
InChIKeyNZRUHIBQAINWQO-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.05
Rot. Bonds1

About 4-(4-chlorophenyl)-3,3-difluoropiperidine

4-(4-chlorophenyl)-3,3-difluoropiperidine (PubChem CID 67962435) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3,3-difluoropiperidine
PubChem CID67962435
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name4-(4-chlorophenyl)-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)10-5-6-15-7-11(10,13)14/h1-4,10,15H,5-7H2
InChIKeyNZRUHIBQAINWQO-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3,3-difluoropiperidine?
The IUPAC name of 4-(4-chlorophenyl)-3,3-difluoropiperidine (CID 67962435) is 4-(4-chlorophenyl)-3,3-difluoropiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-3,3-difluoropiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-3,3-difluoropiperidine is FC1(F)CNCCC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3,3-difluoropiperidine?
The InChIKey is NZRUHIBQAINWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)10-5-6-15-7-11(10,13)14/h1-4,10,15H,5-7H2.
What are the key properties of 4-(4-chlorophenyl)-3,3-difluoropiperidine?
4-(4-chlorophenyl)-3,3-difluoropiperidine has a molecular weight of 231.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3,3-difluoropiperidine is sourced from PubChem (CID 67962435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).