(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C17H14F2O — CID 65408772

IUPAC(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H14F2O/c18-15-8-14(9-16(19)10-15)17(20)13-6-5-11-3-1-2-4-12(11)7-13/h1-4,8-10,13H,5-7H2
InChIKeyRBXSNNPXUDQFAJ-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.95
Rot. Bonds2

About (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 65408772) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID65408772
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H14F2O/c18-15-8-14(9-16(19)10-15)17(20)13-6-5-11-3-1-2-4-12(11)7-13/h1-4,8-10,13H,5-7H2
InChIKeyRBXSNNPXUDQFAJ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 65408772) is (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(c1cc(F)cc(F)c1)C1CCc2ccccc2C1.
What is the InChIKey of (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is RBXSNNPXUDQFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O/c18-15-8-14(9-16(19)10-15)17(20)13-6-5-11-3-1-2-4-12(11)7-13/h1-4,8-10,13H,5-7H2.
What are the key properties of (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 272.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 65408772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).