[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol

C17H26FNO — CID 103961232

IUPAC[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol
SMILESCC1(C)CC(C)(C)CC(CO)(Nc2cccc(F)c2)C1
InChIInChI=1S/C17H26FNO/c1-15(2)9-16(3,4)11-17(10-15,12-20)19-14-7-5-6-13(18)8-14/h5-8,19-20H,9-12H2,1-4H3
InChIKeyQIHOYKAXJQRTAU-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.20
Rot. Bonds3

About [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol

[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol (PubChem CID 103961232) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol
PubChem CID103961232
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol
SMILESCC1(C)CC(C)(C)CC(CO)(Nc2cccc(F)c2)C1
InChIInChI=1S/C17H26FNO/c1-15(2)9-16(3,4)11-17(10-15,12-20)19-14-7-5-6-13(18)8-14/h5-8,19-20H,9-12H2,1-4H3
InChIKeyQIHOYKAXJQRTAU-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol?
The IUPAC name of [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol (CID 103961232) is [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol?
The canonical SMILES for [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol is CC1(C)CC(C)(C)CC(CO)(Nc2cccc(F)c2)C1.
What is the InChIKey of [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol?
The InChIKey is QIHOYKAXJQRTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-15(2)9-16(3,4)11-17(10-15,12-20)19-14-7-5-6-13(18)8-14/h5-8,19-20H,9-12H2,1-4H3.
What are the key properties of [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol?
[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol has a molecular weight of 279.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol is sourced from PubChem (CID 103961232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).