dideuterio-(2,4-difluorophenyl)methanol

C7H6F2O — CID 90303710

IUPACdideuterio-(2,4-difluorophenyl)methanol
SMILES[2H]C([2H])(O)c1ccc(F)cc1F
InChIInChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2/i4D2
InChIKeyNIJZBWHOHNWJBX-APZFVMQVSA-N
MW146.13 g/mol
LogP1.46
Rot. Bonds1

About dideuterio-(2,4-difluorophenyl)methanol

dideuterio-(2,4-difluorophenyl)methanol (PubChem CID 90303710) has the molecular formula C7H6F2O and a molecular weight of 146.13 g/mol. Its IUPAC name is dideuterio-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Namedideuterio-(2,4-difluorophenyl)methanol
PubChem CID90303710
Molecular FormulaC7H6F2O
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Namedideuterio-(2,4-difluorophenyl)methanol
SMILES[2H]C([2H])(O)c1ccc(F)cc1F
InChIInChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2/i4D2
InChIKeyNIJZBWHOHNWJBX-APZFVMQVSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2,4-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]benzene
CID 69132615
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
CID 58696093
CID 58696093
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
N-[(2,4-difluorophenyl)methyl]methanimine
CID 123291562
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825

Frequently Asked Questions

What is the IUPAC name of dideuterio-(2,4-difluorophenyl)methanol?
The IUPAC name of dideuterio-(2,4-difluorophenyl)methanol (CID 90303710) is dideuterio-(2,4-difluorophenyl)methanol.
What is the SMILES notation for dideuterio-(2,4-difluorophenyl)methanol?
The canonical SMILES for dideuterio-(2,4-difluorophenyl)methanol is [2H]C([2H])(O)c1ccc(F)cc1F.
What is the InChIKey of dideuterio-(2,4-difluorophenyl)methanol?
The InChIKey is NIJZBWHOHNWJBX-APZFVMQVSA-N. The full InChI is InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2/i4D2.
What are the key properties of dideuterio-(2,4-difluorophenyl)methanol?
dideuterio-(2,4-difluorophenyl)methanol has a molecular weight of 146.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 90303710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).