6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine

C14H20BrF2N — CID 107844571

IUPAC6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
SMILESFC(F)(CNCCCCCCBr)c1ccccc1
InChIInChI=1S/C14H20BrF2N/c15-10-6-1-2-7-11-18-12-14(16,17)13-8-4-3-5-9-13/h3-5,8-9,18H,1-2,6-7,10-12H2
InChIKeyWKCQYOKUMNMXAG-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.32
Rot. Bonds9

About 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine

6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine (PubChem CID 107844571) has the molecular formula C14H20BrF2N and a molecular weight of 320.22 g/mol. Its IUPAC name is 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
PubChem CID107844571
Molecular FormulaC14H20BrF2N
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
SMILESFC(F)(CNCCCCCCBr)c1ccccc1
InChIInChI=1S/C14H20BrF2N/c15-10-6-1-2-7-11-18-12-14(16,17)13-8-4-3-5-9-13/h3-5,8-9,18H,1-2,6-7,10-12H2
InChIKeyWKCQYOKUMNMXAG-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
3-[2-[(2,2-difluoro-2-phenylethyl)amino]ethylsulfanyl]propan-1-ol
CID 114171865
[4-(6-bromohexoxy)-1,1-difluorobutyl]benzene
CID 67247739
N-(5-bromopentyl)aniline
CID 20759134
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 114187683
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
CID 114515675

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine?
The IUPAC name of 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine (CID 107844571) is 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine.
What is the SMILES notation for 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine?
The canonical SMILES for 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine is FC(F)(CNCCCCCCBr)c1ccccc1.
What is the InChIKey of 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine?
The InChIKey is WKCQYOKUMNMXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N/c15-10-6-1-2-7-11-18-12-14(16,17)13-8-4-3-5-9-13/h3-5,8-9,18H,1-2,6-7,10-12H2.
What are the key properties of 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine?
6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine has a molecular weight of 320.22 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine is sourced from PubChem (CID 107844571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).