(3-fluorophenyl)methanolate

C7H6FO- — CID 101198036

IUPAC(3-fluorophenyl)methanolate
SMILES[O-]Cc1cccc(F)c1
InChIInChI=1S/C7H6FO/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2/q-1
InChIKeyOQKCFORVHNKAOJ-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.69
Rot. Bonds1

About (3-fluorophenyl)methanolate

(3-fluorophenyl)methanolate (PubChem CID 101198036) has the molecular formula C7H6FO- and a molecular weight of 125.12 g/mol. Its IUPAC name is (3-fluorophenyl)methanolate.

Molecular Properties

Compound Name(3-fluorophenyl)methanolate
PubChem CID101198036
Molecular FormulaC7H6FO-
Molecular Weight125.12 g/mol
Exact Mass125.04
IUPAC Name(3-fluorophenyl)methanolate
SMILES[O-]Cc1cccc(F)c1
InChIInChI=1S/C7H6FO/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2/q-1
InChIKeyOQKCFORVHNKAOJ-UHFFFAOYSA-N
XLogP0.69
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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magnesium;1-ethyl-3-fluorobenzene;bromide
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1-(2,2-dibromoethyl)-3-fluorobenzene
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(3-fluorophenyl)methyl-dimethylsulfanium
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1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
CID 175350764
CID 175350764
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
(3-fluorophenyl)methylphosphonic acid
CID 14926087

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methanolate?
The IUPAC name of (3-fluorophenyl)methanolate (CID 101198036) is (3-fluorophenyl)methanolate.
What is the SMILES notation for (3-fluorophenyl)methanolate?
The canonical SMILES for (3-fluorophenyl)methanolate is [O-]Cc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methanolate?
The InChIKey is OQKCFORVHNKAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FO/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2/q-1.
What are the key properties of (3-fluorophenyl)methanolate?
(3-fluorophenyl)methanolate has a molecular weight of 125.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methanolate is sourced from PubChem (CID 101198036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).