2-(3,4-difluorophenyl)prop-2-en-1-amine

C9H9F2N — CID 82503145

IUPAC2-(3,4-difluorophenyl)prop-2-en-1-amine
SMILESC=C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2N/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4H,1,5,12H2
InChIKeyCNUGQJFCPCPMHC-UHFFFAOYSA-N
MW169.17 g/mol
LogP1.94
Rot. Bonds2

About 2-(3,4-difluorophenyl)prop-2-en-1-amine

2-(3,4-difluorophenyl)prop-2-en-1-amine (PubChem CID 82503145) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)prop-2-en-1-amine
PubChem CID82503145
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name2-(3,4-difluorophenyl)prop-2-en-1-amine
SMILESC=C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2N/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4H,1,5,12H2
InChIKeyCNUGQJFCPCPMHC-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)prop-2-en-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)prop-2-en-1-amine (CID 82503145) is 2-(3,4-difluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)prop-2-en-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)prop-2-en-1-amine is C=C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)prop-2-en-1-amine?
The InChIKey is CNUGQJFCPCPMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4H,1,5,12H2.
What are the key properties of 2-(3,4-difluorophenyl)prop-2-en-1-amine?
2-(3,4-difluorophenyl)prop-2-en-1-amine has a molecular weight of 169.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 82503145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).