2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine

C12H14ClF2N — CID 115045643

IUPAC2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine
SMILESCC1(c2ccccc2Cl)CC(F)(F)CCN1
InChIInChI=1S/C12H14ClF2N/c1-11(8-12(14,15)6-7-16-11)9-4-2-3-5-10(9)13/h2-5,16H,6-8H2,1H3
InChIKeyRJOTUBREONJKLT-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.57
Rot. Bonds1

About 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine

2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine (PubChem CID 115045643) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine
PubChem CID115045643
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine
SMILESCC1(c2ccccc2Cl)CC(F)(F)CCN1
InChIInChI=1S/C12H14ClF2N/c1-11(8-12(14,15)6-7-16-11)9-4-2-3-5-10(9)13/h2-5,16H,6-8H2,1H3
InChIKeyRJOTUBREONJKLT-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
CID 115052625
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4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892
[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine
CID 115045654
[2-(2-chlorophenyl)azetidin-2-yl]methanamine
CID 115059255
1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84721034
4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737369
3-(2-chlorophenyl)-3,5,5-trimethylmorpholine
CID 70166373
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 117299721
(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 95866457
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine?
The IUPAC name of 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine (CID 115045643) is 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine?
The canonical SMILES for 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine is CC1(c2ccccc2Cl)CC(F)(F)CCN1.
What is the InChIKey of 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine?
The InChIKey is RJOTUBREONJKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c1-11(8-12(14,15)6-7-16-11)9-4-2-3-5-10(9)13/h2-5,16H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine?
2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine has a molecular weight of 245.70 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine is sourced from PubChem (CID 115045643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).