(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine

C7H14FN — CID 146384616

IUPAC(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine
SMILESC/C(F)=C(/C)CN(C)C
InChIInChI=1S/C7H14FN/c1-6(7(2)8)5-9(3)4/h5H2,1-4H3/b7-6+
InChIKeyXGUHVFTUAXCRLT-VOTSOKGWSA-N
MW131.19 g/mol
LogP1.81
Rot. Bonds2

About (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine

(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine (PubChem CID 146384616) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine
PubChem CID146384616
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine
SMILESC/C(F)=C(/C)CN(C)C
InChIInChI=1S/C7H14FN/c1-6(7(2)8)5-9(3)4/h5H2,1-4H3/b7-6+
InChIKeyXGUHVFTUAXCRLT-VOTSOKGWSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine (CID 146384616) is (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine is C/C(F)=C(/C)CN(C)C.
What is the InChIKey of (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine?
The InChIKey is XGUHVFTUAXCRLT-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(7(2)8)5-9(3)4/h5H2,1-4H3/b7-6+.
What are the key properties of (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine?
(E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N,N,2-trimethylbut-2-en-1-amine is sourced from PubChem (CID 146384616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).