4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol

C8H18FNO — CID 145338292

IUPAC4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol
SMILESCCC(F)(CO)CCN(C)C
InChIInChI=1S/C8H18FNO/c1-4-8(9,7-11)5-6-10(2)3/h11H,4-7H2,1-3H3
InChIKeyHIKPYIMBSPJQKJ-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds5

About 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol

4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol (PubChem CID 145338292) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol
PubChem CID145338292
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol
SMILESCCC(F)(CO)CCN(C)C
InChIInChI=1S/C8H18FNO/c1-4-8(9,7-11)5-6-10(2)3/h11H,4-7H2,1-3H3
InChIKeyHIKPYIMBSPJQKJ-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)-2-ethylbutan-1-ol
CID 117866045
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[1-(2-Fluoroethyl)piperidin-4-yl]methanol
CID 55275930
(1-Tert-butyl-4-fluoropiperidin-4-yl)methanol
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[1-(3-Fluoropropyl)-4-methylpiperidin-4-yl]methanol
CID 68331292
[3-(Fluoromethyl)-2-hydroxypentyl]-trimethylazanium
CID 87169908
[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]methanol
CID 91757628
(1-Ethyl-4-fluoropiperidin-4-yl)methanol
CID 126743686
(3S)-5-(dimethylamino)-3-fluoropentan-2-ol
CID 139565628
5-(Dimethylamino)-1,1-difluoro-3-methylpentan-2-ol
CID 143016235
3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 143182328
1-[4-Fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol
CID 146230855

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol?
The IUPAC name of 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol (CID 145338292) is 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol?
The canonical SMILES for 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol is CCC(F)(CO)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol?
The InChIKey is HIKPYIMBSPJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-4-8(9,7-11)5-6-10(2)3/h11H,4-7H2,1-3H3.
What are the key properties of 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol?
4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol has a molecular weight of 163.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-ethyl-2-fluorobutan-1-ol is sourced from PubChem (CID 145338292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).