1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine

C6H9F4N — CID 129207764

IUPAC1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine
SMILESC=C(F)C(N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F4N/c1-4(7)5(11(2)3)6(8,9)10/h5H,1H2,2-3H3
InChIKeyUQDHHNVGYVVFPS-UHFFFAOYSA-N
MW171.14 g/mol
LogP1.96
Rot. Bonds2

About 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine

1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine (PubChem CID 129207764) has the molecular formula C6H9F4N and a molecular weight of 171.14 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine
PubChem CID129207764
Molecular FormulaC6H9F4N
Molecular Weight171.14 g/mol
Exact Mass171.07
IUPAC Name1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine
SMILESC=C(F)C(N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F4N/c1-4(7)5(11(2)3)6(8,9)10/h5H,1H2,2-3H3
InChIKeyUQDHHNVGYVVFPS-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine?
The IUPAC name of 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine (CID 129207764) is 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine.
What is the SMILES notation for 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine?
The canonical SMILES for 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine is C=C(F)C(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine?
The InChIKey is UQDHHNVGYVVFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N/c1-4(7)5(11(2)3)6(8,9)10/h5H,1H2,2-3H3.
What are the key properties of 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine?
1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine has a molecular weight of 171.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-N,N-dimethylbut-3-en-2-amine is sourced from PubChem (CID 129207764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).