(E)-2-ethyl-3,3-difluorobut-1-en-1-amine

C6H11F2N — CID 167141623

IUPAC(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
SMILESCC/C(=C\N)C(C)(F)F
InChIInChI=1S/C6H11F2N/c1-3-5(4-9)6(2,7)8/h4H,3,9H2,1-2H3/b5-4+
InChIKeyNRVVHAUTXFMFLK-SNAWJCMRSA-N
MW135.16 g/mol
LogP1.89
Rot. Bonds2

About (E)-2-ethyl-3,3-difluorobut-1-en-1-amine

(E)-2-ethyl-3,3-difluorobut-1-en-1-amine (PubChem CID 167141623) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (E)-2-ethyl-3,3-difluorobut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
PubChem CID167141623
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
SMILESCC/C(=C\N)C(C)(F)F
InChIInChI=1S/C6H11F2N/c1-3-5(4-9)6(2,7)8/h4H,3,9H2,1-2H3/b5-4+
InChIKeyNRVVHAUTXFMFLK-SNAWJCMRSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-3,3-difluorobut-1-en-1-amine?
The IUPAC name of (E)-2-ethyl-3,3-difluorobut-1-en-1-amine (CID 167141623) is (E)-2-ethyl-3,3-difluorobut-1-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-3,3-difluorobut-1-en-1-amine?
The canonical SMILES for (E)-2-ethyl-3,3-difluorobut-1-en-1-amine is CC/C(=C\N)C(C)(F)F.
What is the InChIKey of (E)-2-ethyl-3,3-difluorobut-1-en-1-amine?
The InChIKey is NRVVHAUTXFMFLK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11F2N/c1-3-5(4-9)6(2,7)8/h4H,3,9H2,1-2H3/b5-4+.
What are the key properties of (E)-2-ethyl-3,3-difluorobut-1-en-1-amine?
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-3,3-difluorobut-1-en-1-amine is sourced from PubChem (CID 167141623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).