(2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one

C16H14FNO — CID 134969008

IUPAC(2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one
SMILESCc1cccc([C@]2(F)CCc3ccccc3C2=O)n1
InChIInChI=1S/C16H14FNO/c1-11-5-4-8-14(18-11)16(17)10-9-12-6-2-3-7-13(12)15(16)19/h2-8H,9-10H2,1H3/t16-/m1/s1
InChIKeyNEYVHXDQQVXJAG-MRXNPFEDSA-N
MW255.29 g/mol
LogP3.38
Rot. Bonds1

About (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one

(2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one (PubChem CID 134969008) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one
PubChem CID134969008
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one
SMILESCc1cccc([C@]2(F)CCc3ccccc3C2=O)n1
InChIInChI=1S/C16H14FNO/c1-11-5-4-8-14(18-11)16(17)10-9-12-6-2-3-7-13(12)15(16)19/h2-8H,9-10H2,1H3/t16-/m1/s1
InChIKeyNEYVHXDQQVXJAG-MRXNPFEDSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 906373
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CID 1550300
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CID 16225747
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CID 18763228
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CID 11832123
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CID 5702960
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CID 44432663
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one (CID 134969008) is (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one is Cc1cccc([C@]2(F)CCc3ccccc3C2=O)n1.
What is the InChIKey of (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one?
The InChIKey is NEYVHXDQQVXJAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-5-4-8-14(18-11)16(17)10-9-12-6-2-3-7-13(12)15(16)19/h2-8H,9-10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one?
(2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one has a molecular weight of 255.29 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-(6-methyl-2-pyridinyl)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 134969008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).