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

C7H8ClF6NO — CID 71672398

IUPAC2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
SMILESCCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8ClF6NO/c1-2-3-15-4(16)5(8,6(9,10)11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKeyKRWIFZQEZMIGBH-UHFFFAOYSA-N
MW271.59 g/mol
LogP2.61
Rot. Bonds3

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

2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide (PubChem CID 71672398) has the molecular formula C7H8ClF6NO and a molecular weight of 271.59 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
PubChem CID71672398
Molecular FormulaC7H8ClF6NO
Molecular Weight271.59 g/mol
Exact Mass271.02
IUPAC Name2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
SMILESCCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8ClF6NO/c1-2-3-15-4(16)5(8,6(9,10)11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKeyKRWIFZQEZMIGBH-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 3799469
2,2,3,3,3-Pentafluoro-N-propylpropanamide
CID 12647416
2-chloro-2,2-difluoro-N-propan-2-ylacetamide
CID 16090043
(2R)-2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 7127700
3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
CID 2748450
3-chloro-2,2,3,3-tetrafluoro-N-(methylethyl)propanamide
CID 3835461
2-chloro-N-ethyl-2-fluorobutanamide
CID 87187167
N-(2-chloroethyl)-2,2-difluoropropanamide
CID 87839601
2-chloro-N-ethyl-3,3,3-trifluoropropanamide
CID 88875412
2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 89315104
1-chloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
CID 90224660
1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 90224662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide (CID 71672398) is 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide is CCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
The InChIKey is KRWIFZQEZMIGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF6NO/c1-2-3-15-4(16)5(8,6(9,10)11)7(12,13)14/h2-3H2,1H3,(H,15,16).
What are the key properties of 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide?
2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide has a molecular weight of 271.59 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).