4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine

C12H14F3N — CID 58243431

IUPAC4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C12H14F3N/c13-11-3-1-10(2-4-11)9-16-7-5-12(14,15)6-8-16/h1-4H,5-9H2
InChIKeyVZYLQGCBTAFIHN-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.06
Rot. Bonds2

About 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine

4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine (PubChem CID 58243431) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
PubChem CID58243431
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C12H14F3N/c13-11-3-1-10(2-4-11)9-16-7-5-12(14,15)6-8-16/h1-4H,5-9H2
InChIKeyVZYLQGCBTAFIHN-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
CID 116991205
[4-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]boronic acid
CID 175501708
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine;hydrochloride
CID 76684207
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine (CID 58243431) is 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CN2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is VZYLQGCBTAFIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-11-3-1-10(2-4-11)9-16-7-5-12(14,15)6-8-16/h1-4H,5-9H2.
What are the key properties of 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine?
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 229.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 58243431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).