2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide

C10H14ClF6NO — CID 71672612

IUPAC2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide
SMILESCCCN(CCC)C(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14ClF6NO/c1-3-5-18(6-4-2)7(19)8(11,9(12,13)14)10(15,16)17/h3-6H2,1-2H3
InChIKeyGLDNZWAILHFAPN-UHFFFAOYSA-N
MW313.67 g/mol
LogP3.74
Rot. Bonds5

About 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide

2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide (PubChem CID 71672612) has the molecular formula C10H14ClF6NO and a molecular weight of 313.67 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide
PubChem CID71672612
Molecular FormulaC10H14ClF6NO
Molecular Weight313.67 g/mol
Exact Mass313.07
IUPAC Name2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide
SMILESCCCN(CCC)C(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14ClF6NO/c1-3-5-18(6-4-2)7(19)8(11,9(12,13)14)10(15,16)17/h3-6H2,1-2H3
InChIKeyGLDNZWAILHFAPN-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.67
LogP ≤ 53.74
H-Bond Donors ≤ 50
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 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide (CID 71672612) is 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide is CCCN(CCC)C(=O)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide?
The InChIKey is GLDNZWAILHFAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF6NO/c1-3-5-18(6-4-2)7(19)8(11,9(12,13)14)10(15,16)17/h3-6H2,1-2H3.
What are the key properties of 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide?
2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide has a molecular weight of 313.67 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).