ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol

C13H21FO — CID 163257767

IUPACethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol
SMILESCC.CC(C)c1cccc(C(F)CO)c1
InChIInChI=1S/C11H15FO.C2H6/c1-8(2)9-4-3-5-10(6-9)11(12)7-13;1-2/h3-6,8,11,13H,7H2,1-2H3;1-2H3
InChIKeyUDNPCNPJHFYFOE-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.84
Rot. Bonds3

About ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol

ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol (PubChem CID 163257767) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Nameethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol
PubChem CID163257767
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Nameethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol
SMILESCC.CC(C)c1cccc(C(F)CO)c1
InChIInChI=1S/C11H15FO.C2H6/c1-8(2)9-4-3-5-10(6-9)11(12)7-13;1-2/h3-6,8,11,13H,7H2,1-2H3;1-2H3
InChIKeyUDNPCNPJHFYFOE-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-ylphenyl)ethane-1,2-diol
CID 155397805
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 130804056
2-(3-propan-2-ylanilino)ethanol
CID 28973580
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
(2S)-2-hydroxy-2-(3-propan-2-ylphenyl)acetonitrile
CID 98086839
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol?
The IUPAC name of ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol (CID 163257767) is ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol.
What is the SMILES notation for ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol?
The canonical SMILES for ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol is CC.CC(C)c1cccc(C(F)CO)c1.
What is the InChIKey of ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol?
The InChIKey is UDNPCNPJHFYFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO.C2H6/c1-8(2)9-4-3-5-10(6-9)11(12)7-13;1-2/h3-6,8,11,13H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol?
ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol has a molecular weight of 212.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 163257767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).