1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine

C12H13ClF3N — CID 66751440

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine
SMILESFc1cc(CN2CCC(F)(F)CC2)ccc1Cl
InChIInChI=1S/C12H13ClF3N/c13-10-2-1-9(7-11(10)14)8-17-5-3-12(15,16)4-6-17/h1-2,7H,3-6,8H2
InChIKeySCFXDKRGDMECEI-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.71
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine

1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine (PubChem CID 66751440) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine
PubChem CID66751440
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine
SMILESFc1cc(CN2CCC(F)(F)CC2)ccc1Cl
InChIInChI=1S/C12H13ClF3N/c13-10-2-1-9(7-11(10)14)8-17-5-3-12(15,16)4-6-17/h1-2,7H,3-6,8H2
InChIKeySCFXDKRGDMECEI-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
4-Chlorobenzylpiperazine
CID 134826
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
(3R,4S)-4-(4-Chloro-phenyl)-3-(3-fluoro-propyl)-1-methyl-piperidine
CID 11242662
Benzylamine, N,N-bis(2-chloroethyl)-p-chloro-
CID 19183
1-(4-Chlorobenzyl)-4-phenylpiperidine
CID 3780175
1-(4-Chlorobenzyl)azepane
CID 791184
1-Methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 78745
1-((2-Chloro-6-fluorophenyl)methyl)piperazine
CID 735737
1-Benzyl-4-[(4-chlorophenyl)methyl]piperazine
CID 764613
1-(4-Chlorobenzyl)azocane
CID 792348

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine (CID 66751440) is 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine is Fc1cc(CN2CCC(F)(F)CC2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine?
The InChIKey is SCFXDKRGDMECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-10-2-1-9(7-11(10)14)8-17-5-3-12(15,16)4-6-17/h1-2,7H,3-6,8H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine?
1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine has a molecular weight of 263.69 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 66751440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).