(E)-4-(2,6-difluorophenyl)but-3-en-2-amine

C10H11F2N — CID 103091649

IUPAC(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1c(F)cccc1F
InChIInChI=1S/C10H11F2N/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-7H,13H2,1H3/b6-5+
InChIKeySYLLYYZFKDBSMV-AATRIKPKSA-N
MW183.20 g/mol
LogP2.33
Rot. Bonds2

About (E)-4-(2,6-difluorophenyl)but-3-en-2-amine

(E)-4-(2,6-difluorophenyl)but-3-en-2-amine (PubChem CID 103091649) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (E)-4-(2,6-difluorophenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
PubChem CID103091649
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1c(F)cccc1F
InChIInChI=1S/C10H11F2N/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-7H,13H2,1H3/b6-5+
InChIKeySYLLYYZFKDBSMV-AATRIKPKSA-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-(2,6-difluorophenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(2,6-difluorophenyl)but-3-en-2-amine (CID 103091649) is (E)-4-(2,6-difluorophenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,6-difluorophenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(2,6-difluorophenyl)but-3-en-2-amine is CC(N)/C=C/c1c(F)cccc1F.
What is the InChIKey of (E)-4-(2,6-difluorophenyl)but-3-en-2-amine?
The InChIKey is SYLLYYZFKDBSMV-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11F2N/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-7H,13H2,1H3/b6-5+.
What are the key properties of (E)-4-(2,6-difluorophenyl)but-3-en-2-amine?
(E)-4-(2,6-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-(2,6-difluorophenyl)but-3-en-2-amine is sourced from PubChem (CID 103091649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).