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

C11H22FNO — CID 107138253

IUPAC2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCCOC1
InChIInChI=1S/C11H22FNO/c1-10(2,3)11(12,8-13)9-5-4-6-14-7-9/h9H,4-8,13H2,1-3H3
InChIKeyCXRWODXRVNXKIP-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.13
Rot. Bonds2

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

2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine (PubChem CID 107138253) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine
PubChem CID107138253
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCCOC1
InChIInChI=1S/C11H22FNO/c1-10(2,3)11(12,8-13)9-5-4-6-14-7-9/h9H,4-8,13H2,1-3H3
InChIKeyCXRWODXRVNXKIP-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.13
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-(oxan-3-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine (CID 107138253) is 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine is CC(C)(C)C(F)(CN)C1CCCOC1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine?
The InChIKey is CXRWODXRVNXKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(2,3)11(12,8-13)9-5-4-6-14-7-9/h9H,4-8,13H2,1-3H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(oxan-3-yl)butan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.13, 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-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 107138253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).