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

C9H19FO2 — CID 134933857

IUPAC(2R)-2-fluoro-3-hexoxypropan-1-ol
SMILESCCCCCCOC[C@H](F)CO
InChIInChI=1S/C9H19FO2/c1-2-3-4-5-6-12-8-9(10)7-11/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyKFDVAKJEIICBFZ-SECBINFHSA-N
MW178.25 g/mol
LogP1.91
Rot. Bonds8

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

(2R)-2-fluoro-3-hexoxypropan-1-ol (PubChem CID 134933857) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is (2R)-2-fluoro-3-hexoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-2-fluoro-3-hexoxypropan-1-ol
PubChem CID134933857
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name(2R)-2-fluoro-3-hexoxypropan-1-ol
SMILESCCCCCCOC[C@H](F)CO
InChIInChI=1S/C9H19FO2/c1-2-3-4-5-6-12-8-9(10)7-11/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyKFDVAKJEIICBFZ-SECBINFHSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

1-Propanol, 3-(decyloxy)-
CID 3045489
4-(Hexyloxy)-1-butanol
CID 20665
3-(Octyloxy)propan-1-ol
CID 10241583
3-(Hexyloxy)propan-1-ol
CID 15470557
3-(Nonyloxy)propan-1-ol
CID 19076992
Ethoxyethane;hexan-1-ol
CID 87247243
2-Fluoro-3-(hexadecyloxy)propan-1-OL
CID 71372915
Hydroxyhexyl ether
CID 14123451
6-Hexoxyhexan-1-ol
CID 15470559
3-(Pentyloxy)propan-1-ol
CID 14123542
2-Fluoro-3-pentoxypropan-1-ol
CID 14618592
2-Fluoro-3-hexoxypropan-1-ol
CID 14618593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-hexoxypropan-1-ol?
The IUPAC name of (2R)-2-fluoro-3-hexoxypropan-1-ol (CID 134933857) is (2R)-2-fluoro-3-hexoxypropan-1-ol.
What is the SMILES notation for (2R)-2-fluoro-3-hexoxypropan-1-ol?
The canonical SMILES for (2R)-2-fluoro-3-hexoxypropan-1-ol is CCCCCCOC[C@H](F)CO.
What is the InChIKey of (2R)-2-fluoro-3-hexoxypropan-1-ol?
The InChIKey is KFDVAKJEIICBFZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H19FO2/c1-2-3-4-5-6-12-8-9(10)7-11/h9,11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-hexoxypropan-1-ol?
(2R)-2-fluoro-3-hexoxypropan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-hexoxypropan-1-ol is sourced from PubChem (CID 134933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).