1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine

C12H14ClF2N — CID 117007699

IUPAC1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
SMILESCc1ccc(Cl)cc1N1CCCC(F)(F)C1
InChIInChI=1S/C12H14ClF2N/c1-9-3-4-10(13)7-11(9)16-6-2-5-12(14,15)8-16/h3-4,7H,2,5-6,8H2,1H3
InChIKeyIHPVJNYUTRNDGS-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.88
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine

1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine (PubChem CID 117007699) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
PubChem CID117007699
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
SMILESCc1ccc(Cl)cc1N1CCCC(F)(F)C1
InChIInChI=1S/C12H14ClF2N/c1-9-3-4-10(13)7-11(9)16-6-2-5-12(14,15)8-16/h3-4,7H,2,5-6,8H2,1H3
InChIKeyIHPVJNYUTRNDGS-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
CID 117007689
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide
CID 167388987
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzoic acid
CID 138986330
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzaldehyde
CID 86810596
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025
1-[2-(bromomethyl)-5-chlorophenyl]-4,4-dimethylazepane
CID 107084125
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine (CID 117007699) is 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine is Cc1ccc(Cl)cc1N1CCCC(F)(F)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine?
The InChIKey is IHPVJNYUTRNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c1-9-3-4-10(13)7-11(9)16-6-2-5-12(14,15)8-16/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine?
1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine has a molecular weight of 245.70 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine is sourced from PubChem (CID 117007699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).