1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine

C14H9F4N3 — CID 107303945

IUPAC1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine
SMILESNc1ccc2cnn(-c3ccc(C(F)(F)F)cc3F)c2c1
InChIInChI=1S/C14H9F4N3/c15-11-5-9(14(16,17)18)2-4-12(11)21-13-6-10(19)3-1-8(13)7-20-21/h1-7H,19H2
InChIKeyGRNKENCCSYHXRV-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.77
Rot. Bonds1

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine

1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine (PubChem CID 107303945) has the molecular formula C14H9F4N3 and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine
PubChem CID107303945
Molecular FormulaC14H9F4N3
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine
SMILESNc1ccc2cnn(-c3ccc(C(F)(F)F)cc3F)c2c1
InChIInChI=1S/C14H9F4N3/c15-11-5-9(14(16,17)18)2-4-12(11)21-13-6-10(19)3-1-8(13)7-20-21/h1-7H,19H2
InChIKeyGRNKENCCSYHXRV-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
CID 62494224
2-indazol-1-yl-5-(trifluoromethyl)benzonitrile
CID 62140935
1-(4,6-dimethylpyrimidin-2-yl)indazol-6-amine
CID 61174887
(1S)-1-chloro-2-(3-fluoro-2-pyridinyl)-1-[3-[5-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
CID 174236125
3-bromo-4-indazol-1-ylaniline
CID 62140535
1-pyridin-2-ylindazol-6-amine
CID 61176394
1-(3-ethyltriazol-4-yl)indazol-6-amine
CID 114223179
1-(5-methyl-2-pyridinyl)indazol-6-amine
CID 61175078
2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 22693430
1-(2-methylpyrimidin-4-yl)indazol-6-amine
CID 55113053
1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
CID 107880816

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine (CID 107303945) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine is Nc1ccc2cnn(-c3ccc(C(F)(F)F)cc3F)c2c1.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine?
The InChIKey is GRNKENCCSYHXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3/c15-11-5-9(14(16,17)18)2-4-12(11)21-13-6-10(19)3-1-8(13)7-20-21/h1-7H,19H2.
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine?
1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine has a molecular weight of 295.24 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine is sourced from PubChem (CID 107303945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).