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

C8H10ClF6NO — CID 71672409

IUPACN-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10ClF6NO/c1-2-3-4-16-5(17)6(9,7(10,11)12)8(13,14)15/h2-4H2,1H3,(H,16,17)
InChIKeyHKCFGCLQQRGRKY-UHFFFAOYSA-N
MW285.62 g/mol
LogP3.00
Rot. Bonds4

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

N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 71672409) has the molecular formula C8H10ClF6NO and a molecular weight of 285.62 g/mol. Its IUPAC name is N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID71672409
Molecular FormulaC8H10ClF6NO
Molecular Weight285.62 g/mol
Exact Mass285.04
IUPAC NameN-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10ClF6NO/c1-2-3-4-16-5(17)6(9,7(10,11)12)8(13,14)15/h2-4H2,1H3,(H,16,17)
InChIKeyHKCFGCLQQRGRKY-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 53.00
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

2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 3799469
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
(2R)-2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 7127700
N-butyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 4236019
N-butyl-4-chloro-4,4-difluorobutanamide
CID 54146455
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
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 N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 71672409) is N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is HKCFGCLQQRGRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF6NO/c1-2-3-4-16-5(17)6(9,7(10,11)12)8(13,14)15/h2-4H2,1H3,(H,16,17).
What are the key properties of N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 285.62 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).