N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

C10H17BrF3NO — CID 107492651

IUPACN-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C10H17BrF3NO/c1-3-8(4-2)9(16)15(6-5-11)7-10(12,13)14/h8H,3-7H2,1-2H3
InChIKeyCRSCIBPAVPFXOD-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.21
Rot. Bonds6

About N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 107492651) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID107492651
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC NameN-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C10H17BrF3NO/c1-3-8(4-2)9(16)15(6-5-11)7-10(12,13)14/h8H,3-7H2,1-2H3
InChIKeyCRSCIBPAVPFXOD-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.21
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

2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107358309
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492479
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)heptanamide
CID 107492554
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide
CID 107492593
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
N-(2-bromoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 107492515
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 107492651) is N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(CC)C(=O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CRSCIBPAVPFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c1-3-8(4-2)9(16)15(6-5-11)7-10(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 304.15 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 107492651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).