2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide

C9H14F3NO — CID 19380004

IUPAC2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide
SMILESCC(C)(C)C(=O)NCCC(F)=C(F)F
InChIInChI=1S/C9H14F3NO/c1-9(2,3)8(14)13-5-4-6(10)7(11)12/h4-5H2,1-3H3,(H,13,14)
InChIKeyURJMDKZMJOKPGO-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.62
Rot. Bonds3

About 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide

2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide (PubChem CID 19380004) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide
PubChem CID19380004
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide
SMILESCC(C)(C)C(=O)NCCC(F)=C(F)F
InChIInChI=1S/C9H14F3NO/c1-9(2,3)8(14)13-5-4-6(10)7(11)12/h4-5H2,1-3H3,(H,13,14)
InChIKeyURJMDKZMJOKPGO-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2,3-bis[2-(2,2-dimethylpropanoylamino)ethyl]but-2-enedioic acid
CID 126482920
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
(2,2-dimethylpropanoylamino)methyl-trifluoroboranuide
CID 91667128
propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate
CID 112723780
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
CID 108537243

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide (CID 19380004) is 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide is CC(C)(C)C(=O)NCCC(F)=C(F)F.
What is the InChIKey of 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide?
The InChIKey is URJMDKZMJOKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-9(2,3)8(14)13-5-4-6(10)7(11)12/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide?
2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide has a molecular weight of 209.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide is sourced from PubChem (CID 19380004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).