N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine

C12H23BrF3N — CID 79484154

IUPACN-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC(Br)C(F)(F)F
InChIInChI=1S/C12H23BrF3N/c1-5-10(6-2)17(7-9(3)4)8-11(13)12(14,15)16/h9-11H,5-8H2,1-4H3
InChIKeyVAPZQXHKCNRACT-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.46
Rot. Bonds7

About N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine

N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine (PubChem CID 79484154) has the molecular formula C12H23BrF3N and a molecular weight of 318.22 g/mol. Its IUPAC name is N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine
PubChem CID79484154
Molecular FormulaC12H23BrF3N
Molecular Weight318.22 g/mol
Exact Mass317.10
IUPAC NameN-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC(Br)C(F)(F)F
InChIInChI=1S/C12H23BrF3N/c1-5-10(6-2)17(7-9(3)4)8-11(13)12(14,15)16/h9-11H,5-8H2,1-4H3
InChIKeyVAPZQXHKCNRACT-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-(2-bromo-3,3,3-trifluoropropyl)-N-ethyl-2-methylpropan-1-amine
CID 64757931
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
CID 64758757
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
CID 79491872
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 79483506

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine (CID 79484154) is N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(CC(C)C)CC(Br)C(F)(F)F.
What is the InChIKey of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is VAPZQXHKCNRACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrF3N/c1-5-10(6-2)17(7-9(3)4)8-11(13)12(14,15)16/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine?
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 318.22 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 79484154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).