2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C11H19ClF3NO — CID 106365355

IUPAC2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)COCCNC1CCCCC1CCl
InChIInChI=1S/C11H19ClF3NO/c12-7-9-3-1-2-4-10(9)16-5-6-17-8-11(13,14)15/h9-10,16H,1-8H2
InChIKeyBXTVPFFDWTVGJW-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.95
Rot. Bonds6

About 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 106365355) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID106365355
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC Name2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)COCCNC1CCCCC1CCl
InChIInChI=1S/C11H19ClF3NO/c12-7-9-3-1-2-4-10(9)16-5-6-17-8-11(13,14)15/h9-10,16H,1-8H2
InChIKeyBXTVPFFDWTVGJW-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
CID 63828405
2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine
CID 79459074
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55259527
3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 114631990

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 106365355) is 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is FC(F)(F)COCCNC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is BXTVPFFDWTVGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c12-7-9-3-1-2-4-10(9)16-5-6-17-8-11(13,14)15/h9-10,16H,1-8H2.
What are the key properties of 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 273.73 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106365355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).