(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C16H13F2NO — CID 890837

IUPAC(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C16H13F2NO/c17-13-6-3-7-14(18)15(13)16(20)19-9-8-11-4-1-2-5-12(11)10-19/h1-7H,8-10H2
InChIKeyDHOYFHYVFBVNAF-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.16
Rot. Bonds1

About (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 890837) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID890837
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C16H13F2NO/c17-13-6-3-7-14(18)15(13)16(20)19-9-8-11-4-1-2-5-12(11)10-19/h1-7H,8-10H2
InChIKeyDHOYFHYVFBVNAF-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(2-fluoro-6-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104917485
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109055372
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 56909441
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 36674970

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 890837) is (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1c(F)cccc1F)N1CCc2ccccc2C1.
What is the InChIKey of (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is DHOYFHYVFBVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-6-3-7-14(18)15(13)16(20)19-9-8-11-4-1-2-5-12(11)10-19/h1-7H,8-10H2.
What are the key properties of (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 273.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 890837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).