(2R)-2-fluoro-4-phenylmethoxybutan-1-ol

C11H15FO2 — CID 129405204

IUPAC(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
SMILESOC[C@H](F)CCOCc1ccccc1
InChIInChI=1S/C11H15FO2/c12-11(8-13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1
InChIKeyXNQKKPXSHLCXQT-LLVKDONJSA-N
MW198.24 g/mol
LogP1.92
Rot. Bonds6

About (2R)-2-fluoro-4-phenylmethoxybutan-1-ol

(2R)-2-fluoro-4-phenylmethoxybutan-1-ol (PubChem CID 129405204) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is (2R)-2-fluoro-4-phenylmethoxybutan-1-ol.

Molecular Properties

Compound Name(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
PubChem CID129405204
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
SMILESOC[C@H](F)CCOCc1ccccc1
InChIInChI=1S/C11H15FO2/c12-11(8-13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1
InChIKeyXNQKKPXSHLCXQT-LLVKDONJSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.92
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

[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-4-phenylmethoxybutan-1-ol?
The IUPAC name of (2R)-2-fluoro-4-phenylmethoxybutan-1-ol (CID 129405204) is (2R)-2-fluoro-4-phenylmethoxybutan-1-ol.
What is the SMILES notation for (2R)-2-fluoro-4-phenylmethoxybutan-1-ol?
The canonical SMILES for (2R)-2-fluoro-4-phenylmethoxybutan-1-ol is OC[C@H](F)CCOCc1ccccc1.
What is the InChIKey of (2R)-2-fluoro-4-phenylmethoxybutan-1-ol?
The InChIKey is XNQKKPXSHLCXQT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15FO2/c12-11(8-13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1.
What are the key properties of (2R)-2-fluoro-4-phenylmethoxybutan-1-ol?
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-4-phenylmethoxybutan-1-ol is sourced from PubChem (CID 129405204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).