N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine

C11H19BrF3N — CID 65001763

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC(F)(F)F)CC1(CBr)CCCCC1
InChIInChI=1S/C11H19BrF3N/c1-16(9-11(13,14)15)8-10(7-12)5-3-2-4-6-10/h2-9H2,1H3
InChIKeyHDHVVIDPUVYZEE-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.83
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 65001763) has the molecular formula C11H19BrF3N and a molecular weight of 302.18 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID65001763
Molecular FormulaC11H19BrF3N
Molecular Weight302.18 g/mol
Exact Mass301.07
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC(F)(F)F)CC1(CBr)CCCCC1
InChIInChI=1S/C11H19BrF3N/c1-16(9-11(13,14)15)8-10(7-12)5-3-2-4-6-10/h2-9H2,1H3
InChIKeyHDHVVIDPUVYZEE-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
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 N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 65001763) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine is CN(CC(F)(F)F)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is HDHVVIDPUVYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3N/c1-16(9-11(13,14)15)8-10(7-12)5-3-2-4-6-10/h2-9H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 302.18 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 65001763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).