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

C9H9F2N — CID 55282989

IUPAC1-(2,5-difluorophenyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9H,1,12H2
InChIKeyDEOQYXPAHXRVEY-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.15
Rot. Bonds2

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

1-(2,5-difluorophenyl)prop-2-en-1-amine (PubChem CID 55282989) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)prop-2-en-1-amine
PubChem CID55282989
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name1-(2,5-difluorophenyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9H,1,12H2
InChIKeyDEOQYXPAHXRVEY-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
(1R)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171216180
(1S)-1-(2-bromo-5-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171222200
(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171235814
(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
CID 69215793
1-(2,5-difluorophenyl)prop-2-en-1-ol
CID 58950540
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 171216225

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)prop-2-en-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)prop-2-en-1-amine (CID 55282989) is 1-(2,5-difluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)prop-2-en-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)prop-2-en-1-amine is C=CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)prop-2-en-1-amine?
The InChIKey is DEOQYXPAHXRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9H,1,12H2.
What are the key properties of 1-(2,5-difluorophenyl)prop-2-en-1-amine?
1-(2,5-difluorophenyl)prop-2-en-1-amine has a molecular weight of 169.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 55282989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).