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

C11H22FNO — CID 83819644

IUPAC1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine
SMILESCC(C)(C)C(CF)NCC1CCCO1
InChIInChI=1S/C11H22FNO/c1-11(2,3)10(7-12)13-8-9-5-4-6-14-9/h9-10,13H,4-8H2,1-3H3
InChIKeyGORQTJKIAORCDD-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.14
Rot. Bonds4

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

1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine (PubChem CID 83819644) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine
PubChem CID83819644
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine
SMILESCC(C)(C)C(CF)NCC1CCCO1
InChIInChI=1S/C11H22FNO/c1-11(2,3)10(7-12)13-8-9-5-4-6-14-9/h9-10,13H,4-8H2,1-3H3
InChIKeyGORQTJKIAORCDD-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine (CID 83819644) is 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine is CC(C)(C)C(CF)NCC1CCCO1.
What is the InChIKey of 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine?
The InChIKey is GORQTJKIAORCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(2,3)10(7-12)13-8-9-5-4-6-14-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine?
1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine has a molecular weight of 203.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 83819644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).