(2R)-1-fluoro-3-pentoxypropan-2-ol

C8H17FO2 — CID 55250339

IUPAC(2R)-1-fluoro-3-pentoxypropan-2-ol
SMILESCCCCCOC[C@@H](O)CF
InChIInChI=1S/C8H17FO2/c1-2-3-4-5-11-7-8(10)6-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyPPYMYDRRJRBVME-QMMMGPOBSA-N
MW164.22 g/mol
LogP1.52
Rot. Bonds7

About (2R)-1-fluoro-3-pentoxypropan-2-ol

(2R)-1-fluoro-3-pentoxypropan-2-ol (PubChem CID 55250339) has the molecular formula C8H17FO2 and a molecular weight of 164.22 g/mol. Its IUPAC name is (2R)-1-fluoro-3-pentoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-3-pentoxypropan-2-ol
PubChem CID55250339
Molecular FormulaC8H17FO2
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Name(2R)-1-fluoro-3-pentoxypropan-2-ol
SMILESCCCCCOC[C@@H](O)CF
InChIInChI=1S/C8H17FO2/c1-2-3-4-5-11-7-8(10)6-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyPPYMYDRRJRBVME-QMMMGPOBSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-tridecoxypropan-2-ol
CID 139708468
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
1-icosoxybutan-2-ol
CID 58176389
(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2R)-1-butoxybutan-2-ol
CID 27255938
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
1,4-dioctoxybutan-2-ol
CID 91047029

Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoro-3-pentoxypropan-2-ol?
The IUPAC name of (2R)-1-fluoro-3-pentoxypropan-2-ol (CID 55250339) is (2R)-1-fluoro-3-pentoxypropan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-3-pentoxypropan-2-ol?
The canonical SMILES for (2R)-1-fluoro-3-pentoxypropan-2-ol is CCCCCOC[C@@H](O)CF.
What is the InChIKey of (2R)-1-fluoro-3-pentoxypropan-2-ol?
The InChIKey is PPYMYDRRJRBVME-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17FO2/c1-2-3-4-5-11-7-8(10)6-9/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-1-fluoro-3-pentoxypropan-2-ol?
(2R)-1-fluoro-3-pentoxypropan-2-ol has a molecular weight of 164.22 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-3-pentoxypropan-2-ol is sourced from PubChem (CID 55250339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).