N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine

C15H10F4N2 — CID 150466556

IUPACN-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine
SMILESFc1cc(Nc2cc3ccccc3[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2/c16-11-6-10(15(17,18)19)7-12(8-11)20-14-5-9-3-1-2-4-13(9)21-14/h1-8,20-21H
InChIKeyHQXHEGOVTZWQBH-UHFFFAOYSA-N
MW294.25 g/mol
LogP5.07
Rot. Bonds2

About N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine

N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine (PubChem CID 150466556) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine.

Molecular Properties

Compound NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine
PubChem CID150466556
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine
SMILESFc1cc(Nc2cc3ccccc3[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2/c16-11-6-10(15(17,18)19)7-12(8-11)20-14-5-9-3-1-2-4-13(9)21-14/h1-8,20-21H
InChIKeyHQXHEGOVTZWQBH-UHFFFAOYSA-N
XLogP5.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.25
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53374209
N-(3-methoxyphenyl)-1H-indol-2-amine
CID 175140738
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
CID 150229412
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine
CID 87956485
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
2-fluoro-N-[3-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3867857
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
6-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one
CID 69170485
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine?
The IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine (CID 150466556) is N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine.
What is the SMILES notation for N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine?
The canonical SMILES for N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine is Fc1cc(Nc2cc3ccccc3[nH]2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine?
The InChIKey is HQXHEGOVTZWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c16-11-6-10(15(17,18)19)7-12(8-11)20-14-5-9-3-1-2-4-13(9)21-14/h1-8,20-21H.
What are the key properties of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine?
N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine has a molecular weight of 294.25 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-indol-2-amine is sourced from PubChem (CID 150466556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).