N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide

C11H17BrF3NO — CID 102872495

IUPACN-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N(CCCBr)C1CCC1
InChIInChI=1S/C11H17BrF3NO/c12-7-2-8-16(9-3-1-4-9)10(17)5-6-11(13,14)15/h9H,1-8H2
InChIKeyTYASWARYGUPDFQ-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.49
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide

N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide (PubChem CID 102872495) has the molecular formula C11H17BrF3NO and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide
PubChem CID102872495
Molecular FormulaC11H17BrF3NO
Molecular Weight316.16 g/mol
Exact Mass315.04
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N(CCCBr)C1CCC1
InChIInChI=1S/C11H17BrF3NO/c12-7-2-8-16(9-3-1-4-9)10(17)5-6-11(13,14)15/h9H,1-8H2
InChIKeyTYASWARYGUPDFQ-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.49
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-(4-Bromobutyl)-2,2,2-trifluoro-N-isopropylacetamide
CID 86053285
2-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 55125693
2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62854347
2-bromo-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 62855592
N-(2-bromoethyl)-N-butyl-4,4,4-trifluorobutanamide
CID 80658472
N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutanamide
CID 80658491
N-(3-bromopropyl)-3,3,3-trifluoro-N-propan-2-ylpropanamide
CID 80662006
N-(3-bromopropyl)-4,4,4-trifluoro-N-propan-2-ylbutanamide
CID 80662993
N-(2-bromoethyl)-4,4,4-trifluoro-N-propan-2-ylbutanamide
CID 80666518
N-(2-bromoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutanamide
CID 80671056
N-(2-bromoethyl)-3,3,3-trifluoro-N-pentan-3-ylpropanamide
CID 80671710
N-(2-bromoethyl)-N-cyclopropyl-4,4,4-trifluorobutanamide
CID 80678120

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide (CID 102872495) is N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide?
The InChIKey is TYASWARYGUPDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF3NO/c12-7-2-8-16(9-3-1-4-9)10(17)5-6-11(13,14)15/h9H,1-8H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide?
N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide has a molecular weight of 316.16 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide is sourced from PubChem (CID 102872495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).