1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C10H17ClF3N — CID 65030191

IUPAC1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCC(F)(F)F)CC1
InChIInChI=1S/C10H17ClF3N/c1-8-2-4-9(6-11,5-3-8)15-7-10(12,13)14/h8,15H,2-7H2,1H3
InChIKeyDTCROSLGVVUPAH-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.33
Rot. Bonds3

About 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 65030191) has the molecular formula C10H17ClF3N and a molecular weight of 243.70 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID65030191
Molecular FormulaC10H17ClF3N
Molecular Weight243.70 g/mol
Exact Mass243.10
IUPAC Name1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCC(F)(F)F)CC1
InChIInChI=1S/C10H17ClF3N/c1-8-2-4-9(6-11,5-3-8)15-7-10(12,13)14/h8,15H,2-7H2,1H3
InChIKeyDTCROSLGVVUPAH-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 65030191) is 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC1CCC(CCl)(NCC(F)(F)F)CC1.
What is the InChIKey of 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is DTCROSLGVVUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3N/c1-8-2-4-9(6-11,5-3-8)15-7-10(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 243.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 65030191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).