2-(4-fluoroanilino)-2-methylnonan-1-ol

C16H26FNO — CID 55198086

IUPAC2-(4-fluoroanilino)-2-methylnonan-1-ol
SMILESCCCCCCCC(C)(CO)Nc1ccc(F)cc1
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-7-12-16(2,13-19)18-15-10-8-14(17)9-11-15/h8-11,18-19H,3-7,12-13H2,1-2H3
InChIKeyZRLIMATZDQTMMI-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.35
Rot. Bonds9

About 2-(4-fluoroanilino)-2-methylnonan-1-ol

2-(4-fluoroanilino)-2-methylnonan-1-ol (PubChem CID 55198086) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-methylnonan-1-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-methylnonan-1-ol
PubChem CID55198086
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(4-fluoroanilino)-2-methylnonan-1-ol
SMILESCCCCCCCC(C)(CO)Nc1ccc(F)cc1
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-7-12-16(2,13-19)18-15-10-8-14(17)9-11-15/h8-11,18-19H,3-7,12-13H2,1-2H3
InChIKeyZRLIMATZDQTMMI-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-methylnonan-1-ol?
The IUPAC name of 2-(4-fluoroanilino)-2-methylnonan-1-ol (CID 55198086) is 2-(4-fluoroanilino)-2-methylnonan-1-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-2-methylnonan-1-ol?
The canonical SMILES for 2-(4-fluoroanilino)-2-methylnonan-1-ol is CCCCCCCC(C)(CO)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-methylnonan-1-ol?
The InChIKey is ZRLIMATZDQTMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-4-5-6-7-12-16(2,13-19)18-15-10-8-14(17)9-11-15/h8-11,18-19H,3-7,12-13H2,1-2H3.
What are the key properties of 2-(4-fluoroanilino)-2-methylnonan-1-ol?
2-(4-fluoroanilino)-2-methylnonan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-methylnonan-1-ol is sourced from PubChem (CID 55198086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).