2-(1-fluoropropan-2-yl)phenol

C9H11FO — CID 19048051

IUPAC2-(1-fluoropropan-2-yl)phenol
SMILESCC(CF)c1ccccc1O
InChIInChI=1S/C9H11FO/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3
InChIKeyBNIOUSBZENMZKV-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.47
Rot. Bonds2

About 2-(1-fluoropropan-2-yl)phenol

2-(1-fluoropropan-2-yl)phenol (PubChem CID 19048051) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 2-(1-fluoropropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-fluoropropan-2-yl)phenol
PubChem CID19048051
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name2-(1-fluoropropan-2-yl)phenol
SMILESCC(CF)c1ccccc1O
InChIInChI=1S/C9H11FO/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3
InChIKeyBNIOUSBZENMZKV-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-aminopropan-2-yl)phenol
CID 3028046
2-butan-2-ylphenol;formaldehyde
CID 66765994
2-(6-methylheptan-2-yl)phenol
CID 163037790
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2-hept-5-en-2-ylphenol
CID 151668072
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101
2-(difluoromethyl)phenol
CID 21386914

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropan-2-yl)phenol?
The IUPAC name of 2-(1-fluoropropan-2-yl)phenol (CID 19048051) is 2-(1-fluoropropan-2-yl)phenol.
What is the SMILES notation for 2-(1-fluoropropan-2-yl)phenol?
The canonical SMILES for 2-(1-fluoropropan-2-yl)phenol is CC(CF)c1ccccc1O.
What is the InChIKey of 2-(1-fluoropropan-2-yl)phenol?
The InChIKey is BNIOUSBZENMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3.
What are the key properties of 2-(1-fluoropropan-2-yl)phenol?
2-(1-fluoropropan-2-yl)phenol has a molecular weight of 154.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropan-2-yl)phenol is sourced from PubChem (CID 19048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).