(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine

C9H8F3N — CID 55278217

IUPAC(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H8F3N/c1-2-8(13)6-3-5(10)4-7(11)9(6)12/h2-4,8H,1,13H2/t8-/m1/s1
InChIKeyLMGWKRZPMPEZSM-MRVPVSSYSA-N
MW187.16 g/mol
LogP2.29
Rot. Bonds2

About (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine

(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine (PubChem CID 55278217) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
PubChem CID55278217
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H8F3N/c1-2-8(13)6-3-5(10)4-7(11)9(6)12/h2-4,8H,1,13H2/t8-/m1/s1
InChIKeyLMGWKRZPMPEZSM-MRVPVSSYSA-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

(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55291930
1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55283662
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
(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
(1S)-1-(2,3-dichloro-5-fluorophenyl)prop-2-en-1-amine
CID 130782154
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
CID 130804785
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine (CID 55278217) is (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(F)cc(F)c1F.
What is the InChIKey of (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine?
The InChIKey is LMGWKRZPMPEZSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F3N/c1-2-8(13)6-3-5(10)4-7(11)9(6)12/h2-4,8H,1,13H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine?
(1R)-1-(2,3,5-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-(2,3,5-trifluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 55278217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).