N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide

C9H14BrF2NO — CID 107491582

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCBr)CC(F)F
InChIInChI=1S/C9H14BrF2NO/c10-4-5-13(6-8(11)12)9(14)7-2-1-3-7/h7-8H,1-6H2
InChIKeyJRVGCCAXNUFTCB-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.28
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide (PubChem CID 107491582) has the molecular formula C9H14BrF2NO and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide
PubChem CID107491582
Molecular FormulaC9H14BrF2NO
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCBr)CC(F)F
InChIInChI=1S/C9H14BrF2NO/c10-4-5-13(6-8(11)12)9(14)7-2-1-3-7/h7-8H,1-6H2
InChIKeyJRVGCCAXNUFTCB-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.28
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-chloroethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107491018
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479396
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 107479357
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide
CID 107491267
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107491895
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107491803
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiolane-3-carboxamide
CID 107491118
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107493238
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 107491458
4-[benzyl(2,2-difluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673939
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,2-dimethylbutanamide
CID 107491572
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 107491914

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide (CID 107491582) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide is O=C(C1CCC1)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide?
The InChIKey is JRVGCCAXNUFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrF2NO/c10-4-5-13(6-8(11)12)9(14)7-2-1-3-7/h7-8H,1-6H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.28, 5 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)cyclobutanecarboxamide is sourced from PubChem (CID 107491582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).