N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine

C11H22BrF2N — CID 107487527

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine
SMILESCCCCCCCN(CCBr)CC(F)F
InChIInChI=1S/C11H22BrF2N/c1-2-3-4-5-6-8-15(9-7-12)10-11(13)14/h11H,2-10H2,1H3
InChIKeyQOANBDZNIRRKCS-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.92
Rot. Bonds10

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine

N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine (PubChem CID 107487527) has the molecular formula C11H22BrF2N and a molecular weight of 286.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine
PubChem CID107487527
Molecular FormulaC11H22BrF2N
Molecular Weight286.20 g/mol
Exact Mass285.09
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine
SMILESCCCCCCCN(CCBr)CC(F)F
InChIInChI=1S/C11H22BrF2N/c1-2-3-4-5-6-8-15(9-7-12)10-11(13)14/h11H,2-10H2,1H3
InChIKeyQOANBDZNIRRKCS-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
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-bromoethyl)-N-propyloctan-1-amine
CID 80680476
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
2-(dioctylamino)ethane-1,1-diol
CID 87744502
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine (CID 107487527) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine is CCCCCCCN(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine?
The InChIKey is QOANBDZNIRRKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrF2N/c1-2-3-4-5-6-8-15(9-7-12)10-11(13)14/h11H,2-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine has a molecular weight of 286.20 g/mol, XLogP of 3.92, 10 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)heptan-1-amine is sourced from PubChem (CID 107487527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).