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

C14H22ClF6NO — CID 71672622

IUPAC2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
SMILESCCCCCN(CCCCC)C(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22ClF6NO/c1-3-5-7-9-22(10-8-6-4-2)11(23)12(15,13(16,17)18)14(19,20)21/h3-10H2,1-2H3
InChIKeyGRTMFNFBZAJAAI-UHFFFAOYSA-N
MW369.78 g/mol
LogP5.30
Rot. Bonds9

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

2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide (PubChem CID 71672622) has the molecular formula C14H22ClF6NO and a molecular weight of 369.78 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
PubChem CID71672622
Molecular FormulaC14H22ClF6NO
Molecular Weight369.78 g/mol
Exact Mass369.13
IUPAC Name2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
SMILESCCCCCN(CCCCC)C(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22ClF6NO/c1-3-5-7-9-22(10-8-6-4-2)11(23)12(15,13(16,17)18)14(19,20)21/h3-10H2,1-2H3
InChIKeyGRTMFNFBZAJAAI-UHFFFAOYSA-N
XLogP5.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.78
LogP ≤ 55.30
H-Bond Donors ≤ 50
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

N,N-dibutyl-2,2-dichloro-3,3,3-trifluoropropanamide
CID 102177354
N,N-dibutyl-2-chloro-3,3,3-trifluoro-2-iodopropanamide
CID 135001071
N,N-dibutyl-2-chloro-3,3,3-trifluoropropanamide
CID 102177351
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 60948528
2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide
CID 71671749
3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
CID 71672493
2-chloro-3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide
CID 71672612
2-chloro-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
CID 71672613
N,N-dibutyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 71672614
2-Chloro-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)propan-1-one
CID 71672623
2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
CID 71672632
2-chloro-3,3,3-trifluoro-N,N-dihexyl-2-(trifluoromethyl)propanamide
CID 71672641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide (CID 71672622) is 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide is CCCCCN(CCCCC)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-dipentyl-2-(trifluoromethyl)propanamide?
The InChIKey is GRTMFNFBZAJAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClF6NO/c1-3-5-7-9-22(10-8-6-4-2)11(23)12(15,13(16,17)18)14(19,20)21/h3-10H2,1-2H3.
What are the key properties of 2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide?
2-chloro-3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide has a molecular weight of 369.78 g/mol, XLogP of 5.30, 9 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-dipentyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).