(E)-4-(3,5-difluorophenyl)but-3-en-2-amine

C10H11F2N — CID 83349986

IUPAC(E)-4-(3,5-difluorophenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2N/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h2-7H,13H2,1H3/b3-2+
InChIKeyCWYUOLZIIRHVJS-NSCUHMNNSA-N
MW183.20 g/mol
LogP2.33
Rot. Bonds2

About (E)-4-(3,5-difluorophenyl)but-3-en-2-amine

(E)-4-(3,5-difluorophenyl)but-3-en-2-amine (PubChem CID 83349986) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (E)-4-(3,5-difluorophenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3,5-difluorophenyl)but-3-en-2-amine
PubChem CID83349986
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(E)-4-(3,5-difluorophenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2N/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h2-7H,13H2,1H3/b3-2+
InChIKeyCWYUOLZIIRHVJS-NSCUHMNNSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,5-difluorophenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(3,5-difluorophenyl)but-3-en-2-amine (CID 83349986) is (E)-4-(3,5-difluorophenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(3,5-difluorophenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(3,5-difluorophenyl)but-3-en-2-amine is CC(N)/C=C/c1cc(F)cc(F)c1.
What is the InChIKey of (E)-4-(3,5-difluorophenyl)but-3-en-2-amine?
The InChIKey is CWYUOLZIIRHVJS-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11F2N/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h2-7H,13H2,1H3/b3-2+.
What are the key properties of (E)-4-(3,5-difluorophenyl)but-3-en-2-amine?
(E)-4-(3,5-difluorophenyl)but-3-en-2-amine has a molecular weight of 183.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,5-difluorophenyl)but-3-en-2-amine is sourced from PubChem (CID 83349986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).