N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine

C8H16FNO — CID 130961326

IUPACN-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine
SMILESCC1CC(NCCF)C(C)O1
InChIInChI=1S/C8H16FNO/c1-6-5-8(7(2)11-6)10-4-3-9/h6-8,10H,3-5H2,1-2H3
InChIKeyTUYWHSGMFGRGLS-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine

N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine (PubChem CID 130961326) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine
PubChem CID130961326
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine
SMILESCC1CC(NCCF)C(C)O1
InChIInChI=1S/C8H16FNO/c1-6-5-8(7(2)11-6)10-4-3-9/h6-8,10H,3-5H2,1-2H3
InChIKeyTUYWHSGMFGRGLS-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 163758359
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CID 169009465
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4-Fluoro-2-(propan-2-yloxymethyl)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine?
The IUPAC name of N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine (CID 130961326) is N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine is CC1CC(NCCF)C(C)O1.
What is the InChIKey of N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine?
The InChIKey is TUYWHSGMFGRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6-5-8(7(2)11-6)10-4-3-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine?
N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,5-dimethyloxolan-3-amine is sourced from PubChem (CID 130961326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).