[3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium

C11H25FNO+ — CID 87169846

IUPAC[3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
SMILESCCCCC(CF)C(O)C[N+](C)(C)C
InChIInChI=1S/C11H25FNO/c1-5-6-7-10(8-12)11(14)9-13(2,3)4/h10-11,14H,5-9H2,1-4H3/q+1
InChIKeyLVXJDGCKHOMQFY-UHFFFAOYSA-N
MW206.32 g/mol
LogP1.83
Rot. Bonds7

About [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium

[3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium (PubChem CID 87169846) has the molecular formula C11H25FNO+ and a molecular weight of 206.32 g/mol. Its IUPAC name is [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
PubChem CID87169846
Molecular FormulaC11H25FNO+
Molecular Weight206.32 g/mol
Exact Mass206.19
IUPAC Name[3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
SMILESCCCCC(CF)C(O)C[N+](C)(C)C
InChIInChI=1S/C11H25FNO/c1-5-6-7-10(8-12)11(14)9-13(2,3)4/h10-11,14H,5-9H2,1-4H3/q+1
InChIKeyLVXJDGCKHOMQFY-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(Dimethylamino)-3-methylpentan-2-ol
CID 19431211
[3-(Fluoromethyl)-2-hydroxy-4-methylpentyl]-trimethylazanium
CID 87169780
[3-(Fluoromethyl)-2-hydroxypentyl]-trimethylazanium
CID 87169908
[3-(Fluoromethyl)-2-hydroxyhexyl]-trimethylazanium
CID 87169983
(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol
CID 129309243
1-(3,3-Difluorocyclopentyl)-2-(dimethylamino)ethanol
CID 134603272
(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol
CID 146245024
1-Cyclopentyl-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103159765
1-Cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol
CID 103160203
1-Cyclopentyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752578
1-Cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752579
1-Cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752597

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium?
The IUPAC name of [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium (CID 87169846) is [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium.
What is the SMILES notation for [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium?
The canonical SMILES for [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium is CCCCC(CF)C(O)C[N+](C)(C)C.
What is the InChIKey of [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium?
The InChIKey is LVXJDGCKHOMQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FNO/c1-5-6-7-10(8-12)11(14)9-13(2,3)4/h10-11,14H,5-9H2,1-4H3/q+1.
What are the key properties of [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium?
[3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium has a molecular weight of 206.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-2-hydroxyheptyl]-trimethylazanium is sourced from PubChem (CID 87169846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).