4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine

C12H14ClF2N — CID 103052130

IUPAC4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
SMILESFc1ccc(Cl)cc1CC1(F)CCNCC1
InChIInChI=1S/C12H14ClF2N/c13-10-1-2-11(14)9(7-10)8-12(15)3-5-16-6-4-12/h1-2,7,16H,3-6,8H2
InChIKeyHYTZUWBYTMTTKE-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.11
Rot. Bonds2

About 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine

4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine (PubChem CID 103052130) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
PubChem CID103052130
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
SMILESFc1ccc(Cl)cc1CC1(F)CCNCC1
InChIInChI=1S/C12H14ClF2N/c13-10-1-2-11(14)9(7-10)8-12(15)3-5-16-6-4-12/h1-2,7,16H,3-6,8H2
InChIKeyHYTZUWBYTMTTKE-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
4-[(2-chloro-4-methylphenyl)methyl]-4-fluoroazepane
CID 106871135
2-[(4-fluoropiperidin-4-yl)methyl]phenol
CID 105462993
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
CID 112655179
2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
CID 106798672
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroazepane
CID 103983949
4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
CID 155344158
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563405
4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178571
4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
CID 67531755

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine (CID 103052130) is 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine is Fc1ccc(Cl)cc1CC1(F)CCNCC1.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine?
The InChIKey is HYTZUWBYTMTTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-1-2-11(14)9(7-10)8-12(15)3-5-16-6-4-12/h1-2,7,16H,3-6,8H2.
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine?
4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine has a molecular weight of 245.70 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 103052130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).