(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol

C10H19FO2 — CID 164775784

IUPAC(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C(C)C)[C@@H](F)[C@H]1O
InChIInChI=1S/C10H19FO2/c1-5(2)9-7(11)8(12)10(13-9)6(3)4/h5-10,12H,1-4H3/t7-,8+,9-,10+/m0/s1
InChIKeyCVNNZCHWKUTVSM-QCLAVDOMSA-N
MW190.26 g/mol
LogP1.76
Rot. Bonds2

About (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol

(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol (PubChem CID 164775784) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol
PubChem CID164775784
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C(C)C)[C@@H](F)[C@H]1O
InChIInChI=1S/C10H19FO2/c1-5(2)9-7(11)8(12)10(13-9)6(3)4/h5-10,12H,1-4H3/t7-,8+,9-,10+/m0/s1
InChIKeyCVNNZCHWKUTVSM-QCLAVDOMSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775785
(3S,6R)-3-propan-2-yl-2,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 89234801
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 153278394
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol
CID 134824461
(2R,3S,4R,5R)-2-(2-methylpropoxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 118014534
(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol
CID 89225706
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol?
The IUPAC name of (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol (CID 164775784) is (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol is CC(C)[C@H]1O[C@@H](C(C)C)[C@@H](F)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol?
The InChIKey is CVNNZCHWKUTVSM-QCLAVDOMSA-N. The full InChI is InChI=1S/C10H19FO2/c1-5(2)9-7(11)8(12)10(13-9)6(3)4/h5-10,12H,1-4H3/t7-,8+,9-,10+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol?
(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol has a molecular weight of 190.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol is sourced from PubChem (CID 164775784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).