[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol

C15H22FNO2 — CID 79928702

IUPAC[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
SMILESCC1(C)CC(CO)(Nc2cccc(F)c2)C(C)(C)O1
InChIInChI=1S/C15H22FNO2/c1-13(2)9-15(10-18,14(3,4)19-13)17-12-7-5-6-11(16)8-12/h5-8,17-18H,9-10H2,1-4H3
InChIKeyRFGAEFAEYKKRJE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.95
Rot. Bonds3

About [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol

[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol (PubChem CID 79928702) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
PubChem CID79928702
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
SMILESCC1(C)CC(CO)(Nc2cccc(F)c2)C(C)(C)O1
InChIInChI=1S/C15H22FNO2/c1-13(2)9-15(10-18,14(3,4)19-13)17-12-7-5-6-11(16)8-12/h5-8,17-18H,9-10H2,1-4H3
InChIKeyRFGAEFAEYKKRJE-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol
CID 103961232
[4-(3-fluoroanilino)piperidin-4-yl]methanol
CID 61243193
N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999177
4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
CID 65385727
3-(3-fluoroanilino)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171099883
[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol
CID 81468558
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
3-(3-fluoroanilino)-5,5-dimethylthiane-3-carboxamide
CID 79958123
[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372156
1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752284
N-(2,2-dimethylcyclobutyl)-3-fluoroaniline
CID 130532973

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The IUPAC name of [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol (CID 79928702) is [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The canonical SMILES for [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol is CC1(C)CC(CO)(Nc2cccc(F)c2)C(C)(C)O1.
What is the InChIKey of [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The InChIKey is RFGAEFAEYKKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-13(2)9-15(10-18,14(3,4)19-13)17-12-7-5-6-11(16)8-12/h5-8,17-18H,9-10H2,1-4H3.
What are the key properties of [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol has a molecular weight of 267.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol is sourced from PubChem (CID 79928702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).