3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol

C16H24F3NO2 — CID 118588929

IUPAC3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol
SMILESCCCCCCC(N)C(O)(c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C16H24F3NO2/c1-3-4-5-6-7-14(20)15(21,16(17,18)19)12-8-10-13(22-2)11-9-12/h8-11,14,21H,3-7,20H2,1-2H3
InChIKeyVSTIOKMZLXFLMZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.74
Rot. Bonds8

About 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol

3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol (PubChem CID 118588929) has the molecular formula C16H24F3NO2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol
PubChem CID118588929
Molecular FormulaC16H24F3NO2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol
SMILESCCCCCCC(N)C(O)(c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C16H24F3NO2/c1-3-4-5-6-7-14(20)15(21,16(17,18)19)12-8-10-13(22-2)11-9-12/h8-11,14,21H,3-7,20H2,1-2H3
InChIKeyVSTIOKMZLXFLMZ-UHFFFAOYSA-N
XLogP3.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,1,1-trifluoro-2-(4-methylsulfanylphenyl)nonan-2-ol
CID 118588919
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
ethyl 2-(4-methoxybenzoyl)octanoate
CID 71505430
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol (CID 118588929) is 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol is CCCCCCC(N)C(O)(c1ccc(OC)cc1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol?
The InChIKey is VSTIOKMZLXFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO2/c1-3-4-5-6-7-14(20)15(21,16(17,18)19)12-8-10-13(22-2)11-9-12/h8-11,14,21H,3-7,20H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol?
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol has a molecular weight of 319.37 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol is sourced from PubChem (CID 118588929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).