N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine

C8H16BrF2N — CID 107487764

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine
SMILESCCC(C)N(CCBr)CC(F)F
InChIInChI=1S/C8H16BrF2N/c1-3-7(2)12(5-4-9)6-8(10)11/h7-8H,3-6H2,1-2H3
InChIKeyZRQRXWITQIWDBR-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.75
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine

N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine (PubChem CID 107487764) has the molecular formula C8H16BrF2N and a molecular weight of 244.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine
PubChem CID107487764
Molecular FormulaC8H16BrF2N
Molecular Weight244.12 g/mol
Exact Mass243.04
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine
SMILESCCC(C)N(CCBr)CC(F)F
InChIInChI=1S/C8H16BrF2N/c1-3-7(2)12(5-4-9)6-8(10)11/h7-8H,3-6H2,1-2H3
InChIKeyZRQRXWITQIWDBR-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.75
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-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
CID 83168231
N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine
CID 107487527
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
N,N-dipropylbutan-2-amine
CID 524229
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
CID 86775689
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanethioamide
CID 107479923
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine (CID 107487764) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine is CCC(C)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine?
The InChIKey is ZRQRXWITQIWDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrF2N/c1-3-7(2)12(5-4-9)6-8(10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine has a molecular weight of 244.12 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine is sourced from PubChem (CID 107487764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).