6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline

C14H19F2N — CID 130466932

IUPAC6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
SMILESCN1Cc2ccc(C(C)(C)C)cc2C(F)(F)C1
InChIInChI=1S/C14H19F2N/c1-13(2,3)11-6-5-10-8-17(4)9-14(15,16)12(10)7-11/h5-7H,8-9H2,1-4H3
InChIKeyGLYKLSXAPJIBRY-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.52
Rot. Bonds

About 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline

6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline (PubChem CID 130466932) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
PubChem CID130466932
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
SMILESCN1Cc2ccc(C(C)(C)C)cc2C(F)(F)C1
InChIInChI=1S/C14H19F2N/c1-13(2,3)11-6-5-10-8-17(4)9-14(15,16)12(10)7-11/h5-7H,8-9H2,1-4H3
InChIKeyGLYKLSXAPJIBRY-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
CID 176702040
7-tert-butyl-2-ethyl-4-fluoro-4-methyl-1,3-dihydroisoquinoline
CID 176701782
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079
3-tert-butyl-5,5-difluoro-6H-benzo[b][1]benzoxepine
CID 134215020
5-tert-butyl-2,2-difluoro-3H-inden-1-one
CID 67190251
4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
CID 118133394
7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 171575376
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 176615898
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82128928
N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine
CID 155362648

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
The IUPAC name of 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline (CID 130466932) is 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
The canonical SMILES for 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline is CN1Cc2ccc(C(C)(C)C)cc2C(F)(F)C1.
What is the InChIKey of 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
The InChIKey is GLYKLSXAPJIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-13(2,3)11-6-5-10-8-17(4)9-14(15,16)12(10)7-11/h5-7H,8-9H2,1-4H3.
What are the key properties of 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline has a molecular weight of 239.31 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 130466932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).