N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine

C7H12F3N — CID 174100546

IUPACN-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
SMILESCC=C(C)N(C)CC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-6(2)11(3)5-7(8,9)10/h4H,5H2,1-3H3
InChIKeyKCDUZRKFLQJHLX-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.40
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine

N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine (PubChem CID 174100546) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
PubChem CID174100546
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
SMILESCC=C(C)N(C)CC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-6(2)11(3)5-7(8,9)10/h4H,5H2,1-3H3
InChIKeyKCDUZRKFLQJHLX-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
2-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 13090851
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
3-amino-1-methyl-1-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 90317680
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146828
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804
2,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76992428
1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363211
5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 79199158
5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 60891554
3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
CID 60891970
2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976777

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine (CID 174100546) is N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine is CC=C(C)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
The InChIKey is KCDUZRKFLQJHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-4-6(2)11(3)5-7(8,9)10/h4H,5H2,1-3H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine is sourced from PubChem (CID 174100546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).