[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol

C8H10F4O2 — CID 15524945

IUPAC[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol
SMILESOC[C@@H]1[C@H]([C@@H]2[C@H](CO)C2(F)F)C1(F)F
InChIInChI=1S/C8H10F4O2/c9-7(10)3(1-13)5(7)6-4(2-14)8(6,11)12/h3-6,13-14H,1-2H2/t3-,4+,5-,6+
InChIKeyLUMYABWBGLCRQN-FBXFSONDSA-N
MW214.16 g/mol
LogP0.73
Rot. Bonds3

About [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol

[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol (PubChem CID 15524945) has the molecular formula C8H10F4O2 and a molecular weight of 214.16 g/mol. Its IUPAC name is [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol
PubChem CID15524945
Molecular FormulaC8H10F4O2
Molecular Weight214.16 g/mol
Exact Mass214.06
IUPAC Name[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol
SMILESOC[C@@H]1[C@H]([C@@H]2[C@H](CO)C2(F)F)C1(F)F
InChIInChI=1S/C8H10F4O2/c9-7(10)3(1-13)5(7)6-4(2-14)8(6,11)12/h3-6,13-14H,1-2H2/t3-,4+,5-,6+
InChIKeyLUMYABWBGLCRQN-FBXFSONDSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol with MolForge

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Related Compounds

(1S,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 102472709
(1R,2S,3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 101371017
[(1R)-2,2-difluorocyclopropyl]methanol
CID 7171885
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanol
CID 126845026
[(1R,3R)-2,2,3-trimethylcyclopropyl]methanol
CID 14202706
[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
CID 165456668
(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol
CID 11557394
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate
CID 126689438

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol (CID 15524945) is [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol is OC[C@@H]1[C@H]([C@@H]2[C@H](CO)C2(F)F)C1(F)F.
What is the InChIKey of [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol?
The InChIKey is LUMYABWBGLCRQN-FBXFSONDSA-N. The full InChI is InChI=1S/C8H10F4O2/c9-7(10)3(1-13)5(7)6-4(2-14)8(6,11)12/h3-6,13-14H,1-2H2/t3-,4+,5-,6+.
What are the key properties of [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol?
[(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol has a molecular weight of 214.16 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 15524945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).