2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine

C9H18FNO — CID 112565209

IUPAC2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCC(F)(CN)CCC1CCCO1
InChIInChI=1S/C9H18FNO/c1-9(10,7-11)5-4-8-3-2-6-12-8/h8H,2-7,11H2,1H3
InChIKeyBGMVJSXVKXYTAE-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine

2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 112565209) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID112565209
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCC(F)(CN)CCC1CCCO1
InChIInChI=1S/C9H18FNO/c1-9(10,7-11)5-4-8-3-2-6-12-8/h8H,2-7,11H2,1H3
InChIKeyBGMVJSXVKXYTAE-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine (CID 112565209) is 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine is CC(F)(CN)CCC1CCCO1.
What is the InChIKey of 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is BGMVJSXVKXYTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(10,7-11)5-4-8-3-2-6-12-8/h8H,2-7,11H2,1H3.
What are the key properties of 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine?
2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 112565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).