4-(tert-butylamino)-2-fluorobutan-1-ol

C8H18FNO — CID 166969767

IUPAC4-(tert-butylamino)-2-fluorobutan-1-ol
SMILESCC(C)(C)NCCC(F)CO
InChIInChI=1S/C8H18FNO/c1-8(2,3)10-5-4-7(9)6-11/h7,10-11H,4-6H2,1-3H3
InChIKeyWKFQTTOQKODCDM-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.10
Rot. Bonds4

About 4-(tert-butylamino)-2-fluorobutan-1-ol

4-(tert-butylamino)-2-fluorobutan-1-ol (PubChem CID 166969767) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-fluorobutan-1-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-fluorobutan-1-ol
PubChem CID166969767
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name4-(tert-butylamino)-2-fluorobutan-1-ol
SMILESCC(C)(C)NCCC(F)CO
InChIInChI=1S/C8H18FNO/c1-8(2,3)10-5-4-7(9)6-11/h7,10-11H,4-6H2,1-3H3
InChIKeyWKFQTTOQKODCDM-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-fluorobutan-1-ol?
The IUPAC name of 4-(tert-butylamino)-2-fluorobutan-1-ol (CID 166969767) is 4-(tert-butylamino)-2-fluorobutan-1-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-fluorobutan-1-ol?
The canonical SMILES for 4-(tert-butylamino)-2-fluorobutan-1-ol is CC(C)(C)NCCC(F)CO.
What is the InChIKey of 4-(tert-butylamino)-2-fluorobutan-1-ol?
The InChIKey is WKFQTTOQKODCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-8(2,3)10-5-4-7(9)6-11/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 4-(tert-butylamino)-2-fluorobutan-1-ol?
4-(tert-butylamino)-2-fluorobutan-1-ol has a molecular weight of 163.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-fluorobutan-1-ol is sourced from PubChem (CID 166969767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).