ethane;4-(fluoromethyl)benzene-1,3-diol

C9H13FO2 — CID 172565118

IUPACethane;4-(fluoromethyl)benzene-1,3-diol
SMILESCC.Oc1ccc(CF)c(O)c1
InChIInChI=1S/C7H7FO2.C2H6/c8-4-5-1-2-6(9)3-7(5)10;1-2/h1-3,9-10H,4H2;1-2H3
InChIKeyWITOWPQRXVLWPL-UHFFFAOYSA-N
MW172.20 g/mol
LogP2.59
Rot. Bonds1

About ethane;4-(fluoromethyl)benzene-1,3-diol

ethane;4-(fluoromethyl)benzene-1,3-diol (PubChem CID 172565118) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is ethane;4-(fluoromethyl)benzene-1,3-diol.

Molecular Properties

Compound Nameethane;4-(fluoromethyl)benzene-1,3-diol
PubChem CID172565118
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Nameethane;4-(fluoromethyl)benzene-1,3-diol
SMILESCC.Oc1ccc(CF)c(O)c1
InChIInChI=1S/C7H7FO2.C2H6/c8-4-5-1-2-6(9)3-7(5)10;1-2/h1-3,9-10H,4H2;1-2H3
InChIKeyWITOWPQRXVLWPL-UHFFFAOYSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(fluoromethyl)benzene-1,3-diol
CID 91883667
4-ethylbenzene-1,3-diol
CID 17927
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
CID 172851102
CID 172851102
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
4-tricosylbenzene-1,3-diol
CID 101133990
3-(2,4-dihydroxyphenyl)-1,1,1-trifluoropropan-2-one
CID 58846959
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193

Frequently Asked Questions

What is the IUPAC name of ethane;4-(fluoromethyl)benzene-1,3-diol?
The IUPAC name of ethane;4-(fluoromethyl)benzene-1,3-diol (CID 172565118) is ethane;4-(fluoromethyl)benzene-1,3-diol.
What is the SMILES notation for ethane;4-(fluoromethyl)benzene-1,3-diol?
The canonical SMILES for ethane;4-(fluoromethyl)benzene-1,3-diol is CC.Oc1ccc(CF)c(O)c1.
What is the InChIKey of ethane;4-(fluoromethyl)benzene-1,3-diol?
The InChIKey is WITOWPQRXVLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2.C2H6/c8-4-5-1-2-6(9)3-7(5)10;1-2/h1-3,9-10H,4H2;1-2H3.
What are the key properties of ethane;4-(fluoromethyl)benzene-1,3-diol?
ethane;4-(fluoromethyl)benzene-1,3-diol has a molecular weight of 172.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(fluoromethyl)benzene-1,3-diol is sourced from PubChem (CID 172565118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).