2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine

C10H20FNO — CID 112566572

IUPAC2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCOC1
InChIInChI=1S/C10H20FNO/c1-9(2,3)10(11,7-12)8-4-5-13-6-8/h8H,4-7,12H2,1-3H3
InChIKeyNXNYUKPYVOCGQS-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.74
Rot. Bonds2

About 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine (PubChem CID 112566572) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine
PubChem CID112566572
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCOC1
InChIInChI=1S/C10H20FNO/c1-9(2,3)10(11,7-12)8-4-5-13-6-8/h8H,4-7,12H2,1-3H3
InChIKeyNXNYUKPYVOCGQS-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine (CID 112566572) is 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine is CC(C)(C)C(F)(CN)C1CCOC1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine?
The InChIKey is NXNYUKPYVOCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,3)10(11,7-12)8-4-5-13-6-8/h8H,4-7,12H2,1-3H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 112566572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).