3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol

C14H18F4O4 — CID 101245603

IUPAC3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)COCc1cccc(COCC(F)(F)CO)c1
InChIInChI=1S/C14H18F4O4/c15-13(16,7-19)9-21-5-11-2-1-3-12(4-11)6-22-10-14(17,18)8-20/h1-4,19-20H,5-10H2
InChIKeyYFRPPWHMKRDKMA-UHFFFAOYSA-N
MW326.29 g/mol
LogP1.98
Rot. Bonds10

About 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol

3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol (PubChem CID 101245603) has the molecular formula C14H18F4O4 and a molecular weight of 326.29 g/mol. Its IUPAC name is 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
PubChem CID101245603
Molecular FormulaC14H18F4O4
Molecular Weight326.29 g/mol
Exact Mass326.11
IUPAC Name3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)COCc1cccc(COCC(F)(F)CO)c1
InChIInChI=1S/C14H18F4O4/c15-13(16,7-19)9-21-5-11-2-1-3-12(4-11)6-22-10-14(17,18)8-20/h1-4,19-20H,5-10H2
InChIKeyYFRPPWHMKRDKMA-UHFFFAOYSA-N
XLogP1.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol (CID 101245603) is 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol is OCC(F)(F)COCc1cccc(COCC(F)(F)CO)c1.
What is the InChIKey of 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol?
The InChIKey is YFRPPWHMKRDKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O4/c15-13(16,7-19)9-21-5-11-2-1-3-12(4-11)6-22-10-14(17,18)8-20/h1-4,19-20H,5-10H2.
What are the key properties of 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol?
3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol has a molecular weight of 326.29 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 101245603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).