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

C16H26FNO — CID 55198849

IUPAC2-(2-fluoroanilino)-2-methylnonan-1-ol
SMILESCCCCCCCC(C)(CO)Nc1ccccc1F
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-9-12-16(2,13-19)18-15-11-8-7-10-14(15)17/h7-8,10-11,18-19H,3-6,9,12-13H2,1-2H3
InChIKeyYSYKBGSQASWHPS-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.35
Rot. Bonds9

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

2-(2-fluoroanilino)-2-methylnonan-1-ol (PubChem CID 55198849) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-methylnonan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-methylnonan-1-ol
PubChem CID55198849
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(2-fluoroanilino)-2-methylnonan-1-ol
SMILESCCCCCCCC(C)(CO)Nc1ccccc1F
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-9-12-16(2,13-19)18-15-11-8-7-10-14(15)17/h7-8,10-11,18-19H,3-6,9,12-13H2,1-2H3
InChIKeyYSYKBGSQASWHPS-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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Related Compounds

2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
2-(2-fluoroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834228
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-methylnonan-1-ol?
The IUPAC name of 2-(2-fluoroanilino)-2-methylnonan-1-ol (CID 55198849) is 2-(2-fluoroanilino)-2-methylnonan-1-ol.
What is the SMILES notation for 2-(2-fluoroanilino)-2-methylnonan-1-ol?
The canonical SMILES for 2-(2-fluoroanilino)-2-methylnonan-1-ol is CCCCCCCC(C)(CO)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-2-methylnonan-1-ol?
The InChIKey is YSYKBGSQASWHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-4-5-6-9-12-16(2,13-19)18-15-11-8-7-10-14(15)17/h7-8,10-11,18-19H,3-6,9,12-13H2,1-2H3.
What are the key properties of 2-(2-fluoroanilino)-2-methylnonan-1-ol?
2-(2-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-(2-fluoroanilino)-2-methylnonan-1-ol is sourced from PubChem (CID 55198849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).