4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine

C13H16ClF2N — CID 112562293

IUPAC4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H16ClF2N/c14-11-2-1-3-12(15)10(11)8-13(16)6-4-9(17)5-7-13/h1-3,9H,4-8,17H2
InChIKeyYZCYCHBURLOICP-UHFFFAOYSA-N
MW259.73 g/mol
LogP3.63
Rot. Bonds2

About 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine

4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine (PubChem CID 112562293) has the molecular formula C13H16ClF2N and a molecular weight of 259.73 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
PubChem CID112562293
Molecular FormulaC13H16ClF2N
Molecular Weight259.73 g/mol
Exact Mass259.09
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H16ClF2N/c14-11-2-1-3-12(15)10(11)8-13(16)6-4-9(17)5-7-13/h1-3,9H,4-8,17H2
InChIKeyYZCYCHBURLOICP-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805
3-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564497
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroazepane
CID 103983949
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
1-[(2-chloro-6-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999473
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine (CID 112562293) is 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine is NC1CCC(F)(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
The InChIKey is YZCYCHBURLOICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N/c14-11-2-1-3-12(15)10(11)8-13(16)6-4-9(17)5-7-13/h1-3,9H,4-8,17H2.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine?
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine has a molecular weight of 259.73 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).