2,2-difluoro-2-naphthalen-1-ylethanol

C12H10F2O — CID 116841204

IUPAC2,2-difluoro-2-naphthalen-1-ylethanol
SMILESOCC(F)(F)c1cccc2ccccc12
InChIInChI=1S/C12H10F2O/c13-12(14,8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2
InChIKeyJCFTXLJPHSMLNT-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.92
Rot. Bonds2

About 2,2-difluoro-2-naphthalen-1-ylethanol

2,2-difluoro-2-naphthalen-1-ylethanol (PubChem CID 116841204) has the molecular formula C12H10F2O and a molecular weight of 208.21 g/mol. Its IUPAC name is 2,2-difluoro-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2,2-difluoro-2-naphthalen-1-ylethanol
PubChem CID116841204
Molecular FormulaC12H10F2O
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2,2-difluoro-2-naphthalen-1-ylethanol
SMILESOCC(F)(F)c1cccc2ccccc12
InChIInChI=1S/C12H10F2O/c13-12(14,8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2
InChIKeyJCFTXLJPHSMLNT-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro(methylsulfanyl)methyl]naphthalene
CID 14982601
2-(2-bromophenyl)-2,2-difluoroethanol
CID 91926417
2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
CID 105426357
2-(2,3-dichlorophenyl)-2,2-difluoroethanol
CID 130135852
1-(trichloromethyl)naphthalene
CID 12791328
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane
CID 23236801
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol
CID 10847834
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-naphthalen-1-ylethanol?
The IUPAC name of 2,2-difluoro-2-naphthalen-1-ylethanol (CID 116841204) is 2,2-difluoro-2-naphthalen-1-ylethanol.
What is the SMILES notation for 2,2-difluoro-2-naphthalen-1-ylethanol?
The canonical SMILES for 2,2-difluoro-2-naphthalen-1-ylethanol is OCC(F)(F)c1cccc2ccccc12.
What is the InChIKey of 2,2-difluoro-2-naphthalen-1-ylethanol?
The InChIKey is JCFTXLJPHSMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O/c13-12(14,8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2.
What are the key properties of 2,2-difluoro-2-naphthalen-1-ylethanol?
2,2-difluoro-2-naphthalen-1-ylethanol has a molecular weight of 208.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-naphthalen-1-ylethanol is sourced from PubChem (CID 116841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).