1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine

C11H19ClF3N — CID 65030082

IUPAC1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCCC(F)(F)F)CC1
InChIInChI=1S/C11H19ClF3N/c1-9-2-4-10(8-12,5-3-9)16-7-6-11(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHEEHUILSEFVGJD-UHFFFAOYSA-N
MW257.73 g/mol
LogP3.72
Rot. Bonds4

About 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine

1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine (PubChem CID 65030082) has the molecular formula C11H19ClF3N and a molecular weight of 257.73 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
PubChem CID65030082
Molecular FormulaC11H19ClF3N
Molecular Weight257.73 g/mol
Exact Mass257.12
IUPAC Name1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCCC(F)(F)F)CC1
InChIInChI=1S/C11H19ClF3N/c1-9-2-4-10(8-12,5-3-9)16-7-6-11(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHEEHUILSEFVGJD-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.73
LogP ≤ 53.72
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-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine (CID 65030082) is 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine is CC1CCC(CCl)(NCCC(F)(F)F)CC1.
What is the InChIKey of 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The InChIKey is HEEHUILSEFVGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3N/c1-9-2-4-10(8-12,5-3-9)16-7-6-11(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of 1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine has a molecular weight of 257.73 g/mol, XLogP of 3.72, 4 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-(3,3,3-trifluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 65030082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).