(4,5,7-trifluoro-1H-indol-3-yl)methanamine

C9H7F3N2 — CID 165442670

IUPAC(4,5,7-trifluoro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2c(F)cc(F)c(F)c12
InChIInChI=1S/C9H7F3N2/c10-5-1-6(11)9-7(8(5)12)4(2-13)3-14-9/h1,3,14H,2,13H2
InChIKeyUVXBPMPOXXANGP-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.04
Rot. Bonds1

About (4,5,7-trifluoro-1H-indol-3-yl)methanamine

(4,5,7-trifluoro-1H-indol-3-yl)methanamine (PubChem CID 165442670) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is (4,5,7-trifluoro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(4,5,7-trifluoro-1H-indol-3-yl)methanamine
PubChem CID165442670
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name(4,5,7-trifluoro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2c(F)cc(F)c(F)c12
InChIInChI=1S/C9H7F3N2/c10-5-1-6(11)9-7(8(5)12)4(2-13)3-14-9/h1,3,14H,2,13H2
InChIKeyUVXBPMPOXXANGP-UHFFFAOYSA-N
XLogP2.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of (4,5,7-trifluoro-1H-indol-3-yl)methanamine?
The IUPAC name of (4,5,7-trifluoro-1H-indol-3-yl)methanamine (CID 165442670) is (4,5,7-trifluoro-1H-indol-3-yl)methanamine.
What is the SMILES notation for (4,5,7-trifluoro-1H-indol-3-yl)methanamine?
The canonical SMILES for (4,5,7-trifluoro-1H-indol-3-yl)methanamine is NCc1c[nH]c2c(F)cc(F)c(F)c12.
What is the InChIKey of (4,5,7-trifluoro-1H-indol-3-yl)methanamine?
The InChIKey is UVXBPMPOXXANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c10-5-1-6(11)9-7(8(5)12)4(2-13)3-14-9/h1,3,14H,2,13H2.
What are the key properties of (4,5,7-trifluoro-1H-indol-3-yl)methanamine?
(4,5,7-trifluoro-1H-indol-3-yl)methanamine has a molecular weight of 200.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,7-trifluoro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 165442670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).