3-fluoro-2-propan-2-ylphenol

C9H10FO+ — CID 169008689

IUPAC3-fluoro-2-propan-2-ylphenol
SMILES[CH2+]C(C)c1c(O)cccc1F
InChIInChI=1S/C9H9FO/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6H,1H2,2H3/p+1
InChIKeyHOBYMIYXIDREOX-UHFFFAOYSA-O
MW153.18 g/mol
LogP2.47
Rot. Bonds1

About 3-fluoro-2-propan-2-ylphenol

3-fluoro-2-propan-2-ylphenol (PubChem CID 169008689) has the molecular formula C9H10FO+ and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-ylphenol.

Molecular Properties

Compound Name3-fluoro-2-propan-2-ylphenol
PubChem CID169008689
Molecular FormulaC9H10FO+
Molecular Weight153.18 g/mol
Exact Mass153.07
IUPAC Name3-fluoro-2-propan-2-ylphenol
SMILES[CH2+]C(C)c1c(O)cccc1F
InChIInChI=1S/C9H9FO/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6H,1H2,2H3/p+1
InChIKeyHOBYMIYXIDREOX-UHFFFAOYSA-O
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
1-(2,6-difluorophenyl)ethanol
CID 5012075
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
bis(2,6-difluorophenol);zirconium
CID 161409047
2,6-difluorophenol;2-fluorophenol
CID 160898350
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol
CID 107711798
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
2,4-difluoro-3-propan-2-ylphenol
CID 147438122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-ylphenol?
The IUPAC name of 3-fluoro-2-propan-2-ylphenol (CID 169008689) is 3-fluoro-2-propan-2-ylphenol.
What is the SMILES notation for 3-fluoro-2-propan-2-ylphenol?
The canonical SMILES for 3-fluoro-2-propan-2-ylphenol is [CH2+]C(C)c1c(O)cccc1F.
What is the InChIKey of 3-fluoro-2-propan-2-ylphenol?
The InChIKey is HOBYMIYXIDREOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9FO/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6H,1H2,2H3/p+1.
What are the key properties of 3-fluoro-2-propan-2-ylphenol?
3-fluoro-2-propan-2-ylphenol has a molecular weight of 153.18 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-ylphenol is sourced from PubChem (CID 169008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).