N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide

C10H17ClF3NO — CID 106144042

IUPACN-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide
SMILESCC(C)(CCCCl)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-9(2,4-3-5-11)7-15-8(16)6-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyBJVUAGZKIACSEI-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.10
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide

N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide (PubChem CID 106144042) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide
PubChem CID106144042
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide
SMILESCC(C)(CCCCl)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-9(2,4-3-5-11)7-15-8(16)6-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyBJVUAGZKIACSEI-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide (CID 106144042) is N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide is CC(C)(CCCCl)CNC(=O)CC(F)(F)F.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide?
The InChIKey is BJVUAGZKIACSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-9(2,4-3-5-11)7-15-8(16)6-10(12,13)14/h3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide?
N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide has a molecular weight of 259.70 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 106144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).