N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide

C10H15BrF3NO — CID 102872271

IUPACN-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N(CCCBr)C1CCC1
InChIInChI=1S/C10H15BrF3NO/c11-5-2-6-15(8-3-1-4-8)9(16)7-10(12,13)14/h8H,1-7H2
InChIKeyOZGXPWMAZPDHTO-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.10
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide

N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide (PubChem CID 102872271) has the molecular formula C10H15BrF3NO and a molecular weight of 302.13 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide
PubChem CID102872271
Molecular FormulaC10H15BrF3NO
Molecular Weight302.13 g/mol
Exact Mass301.03
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N(CCCBr)C1CCC1
InChIInChI=1S/C10H15BrF3NO/c11-5-2-6-15(8-3-1-4-8)9(16)7-10(12,13)14/h8H,1-7H2
InChIKeyOZGXPWMAZPDHTO-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.10
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
N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide
CID 144988825
2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62854347
N-(2-bromoethyl)-N-butyl-3,3,3-trifluoropropanamide
CID 80659083
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
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)-3,3,3-trifluoro-N-propan-2-ylpropanamide
CID 80665375
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)-N-cyclopropyl-4,4,4-trifluorobutanamide
CID 80678120
N-(2-bromoethyl)-N-cyclopropyl-3,3,3-trifluoropropanamide
CID 80678690

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide (CID 102872271) is N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide?
The InChIKey is OZGXPWMAZPDHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3NO/c11-5-2-6-15(8-3-1-4-8)9(16)7-10(12,13)14/h8H,1-7H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide?
N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide has a molecular weight of 302.13 g/mol, XLogP of 3.10, 5 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-3,3,3-trifluoropropanamide is sourced from PubChem (CID 102872271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).