3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine

C11H22FNO — CID 105455791

IUPAC3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine
SMILESCC(C)(CN)C(C)(F)C1CCOCC1
InChIInChI=1S/C11H22FNO/c1-10(2,8-13)11(3,12)9-4-6-14-7-5-9/h9H,4-8,13H2,1-3H3
InChIKeyGRHAKXDAKLUZPB-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.13
Rot. Bonds3

About 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine

3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine (PubChem CID 105455791) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine
PubChem CID105455791
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine
SMILESCC(C)(CN)C(C)(F)C1CCOCC1
InChIInChI=1S/C11H22FNO/c1-10(2,8-13)11(3,12)9-4-6-14-7-5-9/h9H,4-8,13H2,1-3H3
InChIKeyGRHAKXDAKLUZPB-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine (CID 105455791) is 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine is CC(C)(CN)C(C)(F)C1CCOCC1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine?
The InChIKey is GRHAKXDAKLUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(2,8-13)11(3,12)9-4-6-14-7-5-9/h9H,4-8,13H2,1-3H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine?
3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 105455791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).