(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C17H14F2O — CID 62649815

IUPAC(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)c1cccc(F)c1F
InChIInChI=1S/C17H14F2O/c18-15-7-3-6-14(16(15)19)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5H2
InChIKeyXNZVXKCZXFCTGC-UHFFFAOYSA-N
MW272.29 g/mol
LogP4.07
Rot. Bonds2

About (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 62649815) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID62649815
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)c1cccc(F)c1F
InChIInChI=1S/C17H14F2O/c18-15-7-3-6-14(16(15)19)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5H2
InChIKeyXNZVXKCZXFCTGC-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107123674
(2,3-difluorophenyl)-(3-iodophenyl)methanone
CID 114973513
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 62649815) is (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is O=C(c1ccc2c(c1)CCCC2)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is XNZVXKCZXFCTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O/c18-15-7-3-6-14(16(15)19)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5H2.
What are the key properties of (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 272.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 62649815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).