3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

C11H22FNO — CID 114624522

IUPAC3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC1(C)CC(C(F)CCN)C(C)(C)O1
InChIInChI=1S/C11H22FNO/c1-10(2)7-8(9(12)5-6-13)11(3,4)14-10/h8-9H,5-7,13H2,1-4H3
InChIKeyMDZHGZDAMFZPRC-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.27
Rot. Bonds3

About 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 114624522) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID114624522
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC1(C)CC(C(F)CCN)C(C)(C)O1
InChIInChI=1S/C11H22FNO/c1-10(2)7-8(9(12)5-6-13)11(3,4)14-10/h8-9H,5-7,13H2,1-4H3
InChIKeyMDZHGZDAMFZPRC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 114624522) is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CC1(C)CC(C(F)CCN)C(C)(C)O1.
What is the InChIKey of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is MDZHGZDAMFZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(2)7-8(9(12)5-6-13)11(3,4)14-10/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 114624522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).