2,3-bis(fluoromethyl)phenol

C8H8F2O — CID 139649900

IUPAC2,3-bis(fluoromethyl)phenol
SMILESOc1cccc(CF)c1CF
InChIInChI=1S/C8H8F2O/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3,11H,4-5H2
InChIKeyBVEHWBVBCCEWRM-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.33
Rot. Bonds2

About 2,3-bis(fluoromethyl)phenol

2,3-bis(fluoromethyl)phenol (PubChem CID 139649900) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,3-bis(fluoromethyl)phenol.

Molecular Properties

Compound Name2,3-bis(fluoromethyl)phenol
PubChem CID139649900
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name2,3-bis(fluoromethyl)phenol
SMILESOc1cccc(CF)c1CF
InChIInChI=1S/C8H8F2O/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3,11H,4-5H2
InChIKeyBVEHWBVBCCEWRM-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminopropyl)-6-(fluoromethyl)phenol
CID 84659153
2-[(2-bromophenyl)methyl]benzene-1,3-diol
CID 135030725
2-(aminomethyl)-3-ethylphenol
CID 21467751
1,2,3,4,5-pentakis(fluoromethyl)benzene
CID 57246019
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
2-amino-3-[(2-amino-3-hydroxyphenyl)methyl]phenol
CID 23106823
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
2-[(methyldiazenyl)methyl]benzene-1,3-diol
CID 123486137
2,3,4-tris(fluoromethyl)benzamide
CID 91059826
3-(4-fluorobutyl)benzene-1,2-diol
CID 68899588

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(fluoromethyl)phenol?
The IUPAC name of 2,3-bis(fluoromethyl)phenol (CID 139649900) is 2,3-bis(fluoromethyl)phenol.
What is the SMILES notation for 2,3-bis(fluoromethyl)phenol?
The canonical SMILES for 2,3-bis(fluoromethyl)phenol is Oc1cccc(CF)c1CF.
What is the InChIKey of 2,3-bis(fluoromethyl)phenol?
The InChIKey is BVEHWBVBCCEWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3,11H,4-5H2.
What are the key properties of 2,3-bis(fluoromethyl)phenol?
2,3-bis(fluoromethyl)phenol has a molecular weight of 158.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(fluoromethyl)phenol is sourced from PubChem (CID 139649900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).