difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol

C12H10F8O4 — CID 58543705

IUPACdifluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol
SMILESCc1c(C)c(C(O)(F)F)c(C(O)(F)F)c(C(O)(F)F)c1C(O)(F)F
InChIInChI=1S/C12H10F8O4/c1-3-4(2)6(10(15,16)22)8(12(19,20)24)7(11(17,18)23)5(3)9(13,14)21/h21-24H,1-2H3
InChIKeyYXTRVOHQRKFHFO-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.47
Rot. Bonds4

About difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol

difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol (PubChem CID 58543705) has the molecular formula C12H10F8O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol.

Molecular Properties

Compound Namedifluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol
PubChem CID58543705
Molecular FormulaC12H10F8O4
Molecular Weight370.19 g/mol
Exact Mass370.05
IUPAC Namedifluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol
SMILESCc1c(C)c(C(O)(F)F)c(C(O)(F)F)c(C(O)(F)F)c1C(O)(F)F
InChIInChI=1S/C12H10F8O4/c1-3-4(2)6(10(15,16)22)8(12(19,20)24)7(11(17,18)23)5(3)9(13,14)21/h21-24H,1-2H3
InChIKeyYXTRVOHQRKFHFO-UHFFFAOYSA-N
XLogP2.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol?
The IUPAC name of difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol (CID 58543705) is difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol.
What is the SMILES notation for difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol?
The canonical SMILES for difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol is Cc1c(C)c(C(O)(F)F)c(C(O)(F)F)c(C(O)(F)F)c1C(O)(F)F.
What is the InChIKey of difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol?
The InChIKey is YXTRVOHQRKFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8O4/c1-3-4(2)6(10(15,16)22)8(12(19,20)24)7(11(17,18)23)5(3)9(13,14)21/h21-24H,1-2H3.
What are the key properties of difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol?
difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol has a molecular weight of 370.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[2,3,4-tris[difluoro(hydroxy)methyl]-5,6-dimethylphenyl]methanol is sourced from PubChem (CID 58543705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).