(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol

C9H19FO2 — CID 126704300

IUPAC(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol
SMILESCCCC[C@@H](C)O[C@H](CO)CF
InChIInChI=1S/C9H19FO2/c1-3-4-5-8(2)12-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyLLXGIHCWIMADIK-BDAKNGLRSA-N
MW178.25 g/mol
LogP1.91
Rot. Bonds7

About (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol

(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol (PubChem CID 126704300) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol
PubChem CID126704300
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol
SMILESCCCC[C@@H](C)O[C@H](CO)CF
InChIInChI=1S/C9H19FO2/c1-3-4-5-8(2)12-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyLLXGIHCWIMADIK-BDAKNGLRSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083
2-hexan-2-yloxy-5-methylhexane
CID 91272362
2-methoxyhexan-1-ol
CID 12754599
2-(2-decan-5-yloxypropoxy)propan-1-ol
CID 139806378
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
1-hexan-2-yloxyethyl acetate
CID 87208887
octan-2-yloxymethanol
CID 57306212
2-methylhexan-1-ol
CID 159157237
2-pentan-3-yloxypentane
CID 91256227
ethane;2-methoxyhexane
CID 91199174
hexan-2-yloxyboronic acid
CID 159771152

Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol?
The IUPAC name of (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol (CID 126704300) is (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol.
What is the SMILES notation for (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol?
The canonical SMILES for (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol is CCCC[C@@H](C)O[C@H](CO)CF.
What is the InChIKey of (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol?
The InChIKey is LLXGIHCWIMADIK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19FO2/c1-3-4-5-8(2)12-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol?
(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol is sourced from PubChem (CID 126704300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).