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

C12H17FO2 — CID 14003290

IUPAC1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(OCc1ccccc1)C(O)CF
InChIInChI=1S/C12H17FO2/c1-12(2,11(14)8-13)15-9-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyKHTXHQXEKYBYOM-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds5

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

1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol (PubChem CID 14003290) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
PubChem CID14003290
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(OCc1ccccc1)C(O)CF
InChIInChI=1S/C12H17FO2/c1-12(2,11(14)8-13)15-9-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyKHTXHQXEKYBYOM-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

2-bromo-3-methyl-3-phenylmethoxybutanoic acid
CID 129074020
2-methyl-5-methylidene-2-phenylmethoxyheptane-3,4-diol
CID 102033622
(E,4R,5S)-5,6-dimethyl-6-phenylmethoxyhept-2-en-4-ol
CID 10014921
boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 174908128
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
trifluoro(2-phenylmethoxypropan-2-yl)boranuide
CID 153353035
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol?
The IUPAC name of 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol (CID 14003290) is 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol.
What is the SMILES notation for 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol?
The canonical SMILES for 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol is CC(C)(OCc1ccccc1)C(O)CF.
What is the InChIKey of 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol?
The InChIKey is KHTXHQXEKYBYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,11(14)8-13)15-9-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3.
What are the key properties of 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol?
1-fluoro-3-methyl-3-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 1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol is sourced from PubChem (CID 14003290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).