(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol

C6H13FO2 — CID 158358225

IUPAC(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CF
InChIInChI=1S/C6H13FO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyRTUIPOBEFHIRLY-LURJTMIESA-N
MW136.17 g/mol
LogP0.74
Rot. Bonds4

About (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol

(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol (PubChem CID 158358225) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
PubChem CID158358225
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CF
InChIInChI=1S/C6H13FO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyRTUIPOBEFHIRLY-LURJTMIESA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
6-methyl-1-propan-2-yloxyheptan-2-ol
CID 105122821
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
[(2R)-3-fluoro-2-hydroxypropoxy]-hydroxy-dimethoxyphosphanium
CID 89362524
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473992
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
CID 138664594

Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol (CID 158358225) is (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CF.
What is the InChIKey of (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol?
The InChIKey is RTUIPOBEFHIRLY-LURJTMIESA-N. The full InChI is InChI=1S/C6H13FO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol?
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol has a molecular weight of 136.17 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 158358225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).