(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine

C9H8F3N — CID 55277971

IUPAC(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3N/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h2-4,9H,1,13H2/t9-/m1/s1
InChIKeyJXTJAXAAIQTVQO-SECBINFHSA-N
MW187.16 g/mol
LogP2.29
Rot. Bonds2

About (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine

(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine (PubChem CID 55277971) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
PubChem CID55277971
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3N/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h2-4,9H,1,13H2/t9-/m1/s1
InChIKeyJXTJAXAAIQTVQO-SECBINFHSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline
CID 130653523
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
4-[(1S)-1-aminoprop-2-enyl]-2-chloro-5-fluoroaniline
CID 130614384
(1R)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171216180
(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171235814
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925
1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55283662
(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55291930
(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine
CID 131076071

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine (CID 55277971) is (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(F)c(F)cc1F.
What is the InChIKey of (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine?
The InChIKey is JXTJAXAAIQTVQO-SECBINFHSA-N. The full InChI is InChI=1S/C9H8F3N/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h2-4,9H,1,13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine?
(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine has a molecular weight of 187.16 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 55277971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).