N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H14ClF6NO — CID 103311020

IUPACN-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCC(CCCl)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14ClF6NO/c1-2-6(3-4-11)5-18-8(19)7(9(12,13)14)10(15,16)17/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyFQIOBMDFZKKFRM-UHFFFAOYSA-N
MW313.67 g/mol
LogP3.50
Rot. Bonds6

About N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103311020) has the molecular formula C10H14ClF6NO and a molecular weight of 313.67 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103311020
Molecular FormulaC10H14ClF6NO
Molecular Weight313.67 g/mol
Exact Mass313.07
IUPAC NameN-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCC(CCCl)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14ClF6NO/c1-2-6(3-4-11)5-18-8(19)7(9(12,13)14)10(15,16)17/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyFQIOBMDFZKKFRM-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.67
LogP ≤ 53.50
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 N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103311020) is N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCC(CCCl)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is FQIOBMDFZKKFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF6NO/c1-2-6(3-4-11)5-18-8(19)7(9(12,13)14)10(15,16)17/h6-7H,2-5H2,1H3,(H,18,19).
What are the key properties of N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 313.67 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103311020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).