(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol

C15H13F3O2 — CID 107719922

IUPAC(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C15H13F3O2/c1-9(19)12-4-3-11(7-14(12)17)20-8-10-2-5-13(16)15(18)6-10/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyOCJVRIFGMIRFMK-SECBINFHSA-N
MW282.26 g/mol
LogP3.74
Rot. Bonds4

About (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol

(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107719922) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107719922
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C15H13F3O2/c1-9(19)12-4-3-11(7-14(12)17)20-8-10-2-5-13(16)15(18)6-10/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyOCJVRIFGMIRFMK-SECBINFHSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
CID 107719952
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918200
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol (CID 107719922) is (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol is C[C@@H](O)c1ccc(OCc2ccc(F)c(F)c2)cc1F.
What is the InChIKey of (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is OCJVRIFGMIRFMK-SECBINFHSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-9(19)12-4-3-11(7-14(12)17)20-8-10-2-5-13(16)15(18)6-10/h2-7,9,19H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol?
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 282.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).