3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine

C10H20FNO — CID 105443907

IUPAC3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine
SMILESCC(C)(N)C(C)(F)C1CCOCC1
InChIInChI=1S/C10H20FNO/c1-9(2,12)10(3,11)8-4-6-13-7-5-8/h8H,4-7,12H2,1-3H3
InChIKeyNDIJBDLXXCCDQF-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.88
Rot. Bonds2

About 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine

3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine (PubChem CID 105443907) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine
PubChem CID105443907
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine
SMILESCC(C)(N)C(C)(F)C1CCOCC1
InChIInChI=1S/C10H20FNO/c1-9(2,12)10(3,11)8-4-6-13-7-5-8/h8H,4-7,12H2,1-3H3
InChIKeyNDIJBDLXXCCDQF-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine?
The IUPAC name of 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine (CID 105443907) is 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine is CC(C)(N)C(C)(F)C1CCOCC1.
What is the InChIKey of 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine?
The InChIKey is NDIJBDLXXCCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,12)10(3,11)8-4-6-13-7-5-8/h8H,4-7,12H2,1-3H3.
What are the key properties of 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine?
3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine has a molecular weight of 189.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 105443907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).