3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide

C8H13ClF3NO — CID 63665504

IUPAC3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)(CCl)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO/c1-7(2,5-9)6(14)13-4-3-8(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyAFXVDSCUQCDHGK-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.32
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide

3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 63665504) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID63665504
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)(CCl)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO/c1-7(2,5-9)6(14)13-4-3-8(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyAFXVDSCUQCDHGK-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.32
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 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide (CID 63665504) is 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide is CC(C)(CCl)C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is AFXVDSCUQCDHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c1-7(2,5-9)6(14)13-4-3-8(10,11)12/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 231.64 g/mol, XLogP of 2.32, 4 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-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 63665504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).