3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide

C10H17ClF3NO — CID 115517695

IUPAC3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
SMILESCC(C)(CCl)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-9(2,7-11)8(16)15-6-4-3-5-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyQZSKUGMPVSHELM-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.10
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide

3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide (PubChem CID 115517695) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
PubChem CID115517695
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
SMILESCC(C)(CCl)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-9(2,7-11)8(16)15-6-4-3-5-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyQZSKUGMPVSHELM-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
3,3-dimethyl-2-(5,5,5-trifluoropentylcarbamoyl)butanoic acid
CID 116537377
1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
CID 82108659
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226651
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide (CID 115517695) is 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide is CC(C)(CCl)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide?
The InChIKey is QZSKUGMPVSHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-9(2,7-11)8(16)15-6-4-3-5-10(12,13)14/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide?
3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide 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 3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide is sourced from PubChem (CID 115517695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).