8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine

C10H6F4N2 — CID 115063127

IUPAC8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
SMILESNc1ncc(C(F)(F)F)c2cccc(F)c12
InChIInChI=1S/C10H6F4N2/c11-7-3-1-2-5-6(10(12,13)14)4-16-9(15)8(5)7/h1-4H,(H2,15,16)
InChIKeyCXWOXTMSPZQOCZ-UHFFFAOYSA-N
MW230.16 g/mol
LogP2.97
Rot. Bonds

About 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine

8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine (PubChem CID 115063127) has the molecular formula C10H6F4N2 and a molecular weight of 230.16 g/mol. Its IUPAC name is 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
PubChem CID115063127
Molecular FormulaC10H6F4N2
Molecular Weight230.16 g/mol
Exact Mass230.05
IUPAC Name8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
SMILESNc1ncc(C(F)(F)F)c2cccc(F)c12
InChIInChI=1S/C10H6F4N2/c11-7-3-1-2-5-6(10(12,13)14)4-16-9(15)8(5)7/h1-4H,(H2,15,16)
InChIKeyCXWOXTMSPZQOCZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063137
8-fluoro-4-propan-2-ylisoquinolin-1-amine
CID 115063353
4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
CID 115063049
4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
CID 115063142
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063130
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118819254
N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide
CID 69401637
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
5-ethyl-4-fluoroisoquinolin-1-amine
CID 163390204
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine?
The IUPAC name of 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine (CID 115063127) is 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine.
What is the SMILES notation for 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine?
The canonical SMILES for 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine is Nc1ncc(C(F)(F)F)c2cccc(F)c12.
What is the InChIKey of 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine?
The InChIKey is CXWOXTMSPZQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2/c11-7-3-1-2-5-6(10(12,13)14)4-16-9(15)8(5)7/h1-4H,(H2,15,16).
What are the key properties of 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine?
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine has a molecular weight of 230.16 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine is sourced from PubChem (CID 115063127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).