(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine

C9H9F2N — CID 82668283

IUPAC(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6H,3,12H2/b2-1+
InChIKeyUSXLTAOTQVUSHW-OWOJBTEDSA-N
MW169.17 g/mol
LogP1.94
Rot. Bonds2

About (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine

(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine (PubChem CID 82668283) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
PubChem CID82668283
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6H,3,12H2/b2-1+
InChIKeyUSXLTAOTQVUSHW-OWOJBTEDSA-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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Related Compounds

3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 115350765
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
CID 117279410
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
CID 169463839
(E)-3-(3-bromo-4,5-difluorophenyl)prop-2-en-1-amine
CID 117372631
(E)-3-(3-bromo-4-fluoro-5-methylphenyl)prop-2-en-1-amine
CID 117361697
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
CID 115111094
3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473286

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine (CID 82668283) is (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine is NC/C=C/c1cc(F)cc(F)c1.
What is the InChIKey of (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine?
The InChIKey is USXLTAOTQVUSHW-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H9F2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6H,3,12H2/b2-1+.
What are the key properties of (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine?
(E)-3-(3,5-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 (E)-3-(3,5-difluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 82668283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).