(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol

C18H20F4O2 — CID 159931966

IUPAC(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(F)c(F)c1.CC[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/2C9H10F2O/c2*1-2-9(12)6-3-4-7(10)8(11)5-6/h2*3-5,9,12H,2H2,1H3/t2*9-/m10/s1
InChIKeyNZTHUYKNPITSSA-IGXPJQGBSA-N
MW344.35 g/mol
LogP4.82
Rot. Bonds4

About (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol

(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol (PubChem CID 159931966) has the molecular formula C18H20F4O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
PubChem CID159931966
Molecular FormulaC18H20F4O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(F)c(F)c1.CC[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/2C9H10F2O/c2*1-2-9(12)6-3-4-7(10)8(11)5-6/h2*3-5,9,12H,2H2,1H3/t2*9-/m10/s1
InChIKeyNZTHUYKNPITSSA-IGXPJQGBSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
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CID 71469386
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
1,2-difluoro-4-(1-iodopropyl)benzene
CID 70110065
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
CID 138605518
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol (CID 159931966) is (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol is CC[C@@H](O)c1ccc(F)c(F)c1.CC[C@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is NZTHUYKNPITSSA-IGXPJQGBSA-N. The full InChI is InChI=1S/2C9H10F2O/c2*1-2-9(12)6-3-4-7(10)8(11)5-6/h2*3-5,9,12H,2H2,1H3/t2*9-/m10/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol?
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 344.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 159931966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).