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

C12H14ClF2N — CID 84705382

IUPAC4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C12H14ClF2N/c13-11-3-1-2-9(7-11)6-10-4-5-16-8-12(10,14)15/h1-3,7,10,16H,4-6,8H2
InChIKeyUQJQNWDZPPZKPZ-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.13
Rot. Bonds2

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

4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine (PubChem CID 84705382) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
PubChem CID84705382
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C12H14ClF2N/c13-11-3-1-2-9(7-11)6-10-4-5-16-8-12(10,14)15/h1-3,7,10,16H,4-6,8H2
InChIKeyUQJQNWDZPPZKPZ-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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Related Compounds

3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
CID 115052324
2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175726800
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
3-[(3-chlorophenyl)methyl]-4-methoxypiperidine
CID 84736905
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane
CID 86653816
2-[(3-chlorophenyl)methyl]azepane
CID 5094056

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine (CID 84705382) is 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine is FC1(F)CNCCC1Cc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine?
The InChIKey is UQJQNWDZPPZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-11-3-1-2-9(7-11)6-10-4-5-16-8-12(10,14)15/h1-3,7,10,16H,4-6,8H2.
What are the key properties of 4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine?
4-[(3-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-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine is sourced from PubChem (CID 84705382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).