(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol

C12H17FO2 — CID 121002722

IUPAC(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
SMILESC[C@H](O)[C@](C)(F)COCc1ccccc1
InChIInChI=1S/C12H17FO2/c1-10(14)12(2,13)9-15-8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyACOWOXZKUHLEMF-CMPLNLGQSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds5

About (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol

(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol (PubChem CID 121002722) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
PubChem CID121002722
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
SMILESC[C@H](O)[C@](C)(F)COCc1ccccc1
InChIInChI=1S/C12H17FO2/c1-10(14)12(2,13)9-15-8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyACOWOXZKUHLEMF-CMPLNLGQSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
CID 135182123
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol
CID 163035504

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol?
The IUPAC name of (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol (CID 121002722) is (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol.
What is the SMILES notation for (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol?
The canonical SMILES for (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol is C[C@H](O)[C@](C)(F)COCc1ccccc1.
What is the InChIKey of (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol?
The InChIKey is ACOWOXZKUHLEMF-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17FO2/c1-10(14)12(2,13)9-15-8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol?
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol is sourced from PubChem (CID 121002722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).