3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol

C12H17FO2 — CID 14003288

IUPAC3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
SMILESCC(C)(F)C(O)COCc1ccccc1
InChIInChI=1S/C12H17FO2/c1-12(2,13)11(14)9-15-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyAYXLONZZJWSGII-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds5

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

3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol (PubChem CID 14003288) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
PubChem CID14003288
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
SMILESCC(C)(F)C(O)COCc1ccccc1
InChIInChI=1S/C12H17FO2/c1-12(2,13)11(14)9-15-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyAYXLONZZJWSGII-UHFFFAOYSA-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

3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
CID 134940359
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
CID 10467398
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
ethane;phenylmethoxymethylbenzene
CID 90943549
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol?
The IUPAC name of 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol (CID 14003288) is 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol.
What is the SMILES notation for 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol?
The canonical SMILES for 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol is CC(C)(F)C(O)COCc1ccccc1.
What is the InChIKey of 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol?
The InChIKey is AYXLONZZJWSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,13)11(14)9-15-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol?
3-fluoro-3-methyl-1-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 3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol is sourced from PubChem (CID 14003288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).