(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine

C9H18FN — CID 135269207

IUPAC(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine
SMILESCCNC/C(=C(/C)F)C(C)C
InChIInChI=1S/C9H18FN/c1-5-11-6-9(7(2)3)8(4)10/h7,11H,5-6H2,1-4H3/b9-8+
InChIKeyOKRBWVCCEMBBME-CMDGGOBGSA-N
MW159.25 g/mol
LogP2.50
Rot. Bonds4

About (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine

(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine (PubChem CID 135269207) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine
PubChem CID135269207
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine
SMILESCCNC/C(=C(/C)F)C(C)C
InChIInChI=1S/C9H18FN/c1-5-11-6-9(7(2)3)8(4)10/h7,11H,5-6H2,1-4H3/b9-8+
InChIKeyOKRBWVCCEMBBME-CMDGGOBGSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine (CID 135269207) is (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine is CCNC/C(=C(/C)F)C(C)C.
What is the InChIKey of (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine?
The InChIKey is OKRBWVCCEMBBME-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18FN/c1-5-11-6-9(7(2)3)8(4)10/h7,11H,5-6H2,1-4H3/b9-8+.
What are the key properties of (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine?
(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 135269207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).