[1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol

C16H12F4O2 — CID 142720781

IUPAC[1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)C1(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H12F4O2/c17-9-1-3-11(12(19)7-9)15(21)16(5-6-16)22-14-4-2-10(18)8-13(14)20/h1-4,7-8,15,21H,5-6H2
InChIKeyXZOFQCYEITXFGC-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.89
Rot. Bonds4

About [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol

[1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol (PubChem CID 142720781) has the molecular formula C16H12F4O2 and a molecular weight of 312.26 g/mol. Its IUPAC name is [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol
PubChem CID142720781
Molecular FormulaC16H12F4O2
Molecular Weight312.26 g/mol
Exact Mass312.08
IUPAC Name[1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)C1(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H12F4O2/c17-9-1-3-11(12(19)7-9)15(21)16(5-6-16)22-14-4-2-10(18)8-13(14)20/h1-4,7-8,15,21H,5-6H2
InChIKeyXZOFQCYEITXFGC-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol?
The IUPAC name of [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol (CID 142720781) is [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol.
What is the SMILES notation for [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol?
The canonical SMILES for [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol is OC(c1ccc(F)cc1F)C1(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol?
The InChIKey is XZOFQCYEITXFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O2/c17-9-1-3-11(12(19)7-9)15(21)16(5-6-16)22-14-4-2-10(18)8-13(14)20/h1-4,7-8,15,21H,5-6H2.
What are the key properties of [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol?
[1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol has a molecular weight of 312.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenoxy)cyclopropyl]-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 142720781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).