(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine

C8H16FN — CID 166157567

IUPAC(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine
SMILESC/C=C(/F)CN(C)C(C)C
InChIInChI=1S/C8H16FN/c1-5-8(9)6-10(4)7(2)3/h5,7H,6H2,1-4H3/b8-5+
InChIKeyUCQOZJJPRGHMFF-VMPITWQZSA-N
MW145.22 g/mol
LogP2.20
Rot. Bonds3

About (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine

(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine (PubChem CID 166157567) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine
PubChem CID166157567
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine
SMILESC/C=C(/F)CN(C)C(C)C
InChIInChI=1S/C8H16FN/c1-5-8(9)6-10(4)7(2)3/h5,7H,6H2,1-4H3/b8-5+
InChIKeyUCQOZJJPRGHMFF-VMPITWQZSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine (CID 166157567) is (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine is C/C=C(/F)CN(C)C(C)C.
What is the InChIKey of (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is UCQOZJJPRGHMFF-VMPITWQZSA-N. The full InChI is InChI=1S/C8H16FN/c1-5-8(9)6-10(4)7(2)3/h5,7H,6H2,1-4H3/b8-5+.
What are the key properties of (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine?
(E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-methyl-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 166157567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).