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

C7H12F3N — CID 167287848

IUPAC(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
SMILESC/C=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/b6-4-
InChIKeyKCDUZRKFLQJHLX-XQRVVYSFSA-N
MW167.17 g/mol
LogP2.40
Rot. Bonds2

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

(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine (PubChem CID 167287848) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
PubChem CID167287848
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
SMILESC/C=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/b6-4-
InChIKeyKCDUZRKFLQJHLX-XQRVVYSFSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
The IUPAC name of (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine (CID 167287848) is (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
The canonical SMILES for (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine is C/C=C(/C)N(C)CC(F)(F)F.
What is the InChIKey of (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
The InChIKey is KCDUZRKFLQJHLX-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12F3N/c1-4-6(2)11(3)5-7(8,9)10/h4H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine?
(Z)-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 (Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine is sourced from PubChem (CID 167287848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).