N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H16F6N2O — CID 103310367

IUPACN-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC(C)CC(CN)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N2O/c1-5(2)3-6(4-17)18-8(19)7(9(11,12)13)10(14,15)16/h5-7H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyPTTUNAVSXHPAGQ-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.22
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310367) has the molecular formula C10H16F6N2O and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310367
Molecular FormulaC10H16F6N2O
Molecular Weight294.24 g/mol
Exact Mass294.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC(C)CC(CN)NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N2O/c1-5(2)3-6(4-17)18-8(19)7(9(11,12)13)10(14,15)16/h5-7H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyPTTUNAVSXHPAGQ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
CID 119588676
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 7039939
N-butan-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748455
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
N-(1-bromopropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311032

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310367) is N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CC(C)CC(CN)NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is PTTUNAVSXHPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O/c1-5(2)3-6(4-17)18-8(19)7(9(11,12)13)10(14,15)16/h5-7H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 294.24 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).