2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol

C11H15FO2 — CID 10821802

IUPAC2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
SMILESCC(F)(CO)COCc1ccccc1
InChIInChI=1S/C11H15FO2/c1-11(12,8-13)9-14-7-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKeyRSLSFEWWLCHXGJ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.92
Rot. Bonds5

About 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol

2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol (PubChem CID 10821802) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
PubChem CID10821802
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
SMILESCC(F)(CO)COCc1ccccc1
InChIInChI=1S/C11H15FO2/c1-11(12,8-13)9-14-7-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKeyRSLSFEWWLCHXGJ-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
CID 102391080
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol?
The IUPAC name of 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol (CID 10821802) is 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol is CC(F)(CO)COCc1ccccc1.
What is the InChIKey of 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol?
The InChIKey is RSLSFEWWLCHXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-11(12,8-13)9-14-7-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3.
What are the key properties of 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol?
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 10821802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).