1-(trifluoromethyl)isoquinolin-7-amine

C10H7F3N2 — CID 170012562

IUPAC1-(trifluoromethyl)isoquinolin-7-amine
SMILESNc1ccc2ccnc(C(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)9-8-5-7(14)2-1-6(8)3-4-15-9/h1-5H,14H2
InChIKeyDYGJPQHILFTEIL-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.84
Rot. Bonds

About 1-(trifluoromethyl)isoquinolin-7-amine

1-(trifluoromethyl)isoquinolin-7-amine (PubChem CID 170012562) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)isoquinolin-7-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)isoquinolin-7-amine
PubChem CID170012562
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name1-(trifluoromethyl)isoquinolin-7-amine
SMILESNc1ccc2ccnc(C(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)9-8-5-7(14)2-1-6(8)3-4-15-9/h1-5H,14H2
InChIKeyDYGJPQHILFTEIL-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)quinazolin-6-amine
CID 105466490
1-N-tert-butylisoquinoline-1,7-diamine
CID 82570059
7-amino-1-(trifluoromethyl)naphthalen-2-ol
CID 141473254
2-[2-(trifluoromethyl)-3-pyridinyl]benzene-1,4-diamine
CID 18415378
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
1-(1,1-difluoroethyl)isoquinoline
CID 150195084
1-N-butylisoquinoline-1,7-diamine
CID 82570056
2-[(7-aminoisoquinolin-1-yl)amino]acetic acid
CID 82570060
1-N-(pyridin-4-ylmethyl)isoquinoline-1,7-diamine
CID 82570100
1-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinoline
CID 12507585
1-bromoisoquinolin-6-amine
CID 150153113
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571688

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)isoquinolin-7-amine?
The IUPAC name of 1-(trifluoromethyl)isoquinolin-7-amine (CID 170012562) is 1-(trifluoromethyl)isoquinolin-7-amine.
What is the SMILES notation for 1-(trifluoromethyl)isoquinolin-7-amine?
The canonical SMILES for 1-(trifluoromethyl)isoquinolin-7-amine is Nc1ccc2ccnc(C(F)(F)F)c2c1.
What is the InChIKey of 1-(trifluoromethyl)isoquinolin-7-amine?
The InChIKey is DYGJPQHILFTEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)9-8-5-7(14)2-1-6(8)3-4-15-9/h1-5H,14H2.
What are the key properties of 1-(trifluoromethyl)isoquinolin-7-amine?
1-(trifluoromethyl)isoquinolin-7-amine has a molecular weight of 212.17 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)isoquinolin-7-amine is sourced from PubChem (CID 170012562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).