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

C7H14FN — CID 146555738

IUPAC(E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine
SMILESCN/C=C(/F)C(C)(C)C
InChIInChI=1S/C7H14FN/c1-7(2,3)6(8)5-9-4/h5,9H,1-4H3/b6-5+
InChIKeyAVVQHZZPXOZFSG-AATRIKPKSA-N
MW131.19 g/mol
LogP2.06
Rot. Bonds1

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

(E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine (PubChem CID 146555738) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine
PubChem CID146555738
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine
SMILESCN/C=C(/F)C(C)(C)C
InChIInChI=1S/C7H14FN/c1-7(2,3)6(8)5-9-4/h5,9H,1-4H3/b6-5+
InChIKeyAVVQHZZPXOZFSG-AATRIKPKSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine?
The IUPAC name of (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine (CID 146555738) is (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine?
The canonical SMILES for (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine is CN/C=C(/F)C(C)(C)C.
What is the InChIKey of (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine?
The InChIKey is AVVQHZZPXOZFSG-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14FN/c1-7(2,3)6(8)5-9-4/h5,9H,1-4H3/b6-5+.
What are the key properties of (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine?
(E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine has a molecular weight of 131.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine is sourced from PubChem (CID 146555738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).