3-(3-fluoropropyl)-2-methyloxolan-3-amine

C8H16FNO — CID 164649082

IUPAC3-(3-fluoropropyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)CCCF
InChIInChI=1S/C8H16FNO/c1-7-8(10,3-2-5-9)4-6-11-7/h7H,2-6,10H2,1H3
InChIKeyJOBLEQBKXJPIHH-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.24
Rot. Bonds3

About 3-(3-fluoropropyl)-2-methyloxolan-3-amine

3-(3-fluoropropyl)-2-methyloxolan-3-amine (PubChem CID 164649082) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(3-fluoropropyl)-2-methyloxolan-3-amine
PubChem CID164649082
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-(3-fluoropropyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)CCCF
InChIInChI=1S/C8H16FNO/c1-7-8(10,3-2-5-9)4-6-11-7/h7H,2-6,10H2,1H3
InChIKeyJOBLEQBKXJPIHH-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-2-methyloxolan-3-amine?
The IUPAC name of 3-(3-fluoropropyl)-2-methyloxolan-3-amine (CID 164649082) is 3-(3-fluoropropyl)-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(3-fluoropropyl)-2-methyloxolan-3-amine?
The canonical SMILES for 3-(3-fluoropropyl)-2-methyloxolan-3-amine is CC1OCCC1(N)CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-2-methyloxolan-3-amine?
The InChIKey is JOBLEQBKXJPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7-8(10,3-2-5-9)4-6-11-7/h7H,2-6,10H2,1H3.
What are the key properties of 3-(3-fluoropropyl)-2-methyloxolan-3-amine?
3-(3-fluoropropyl)-2-methyloxolan-3-amine has a molecular weight of 161.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 164649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).