[3-(3-fluoropropyl)oxolan-3-yl]methanamine

C8H16FNO — CID 130514922

IUPAC[3-(3-fluoropropyl)oxolan-3-yl]methanamine
SMILESNCC1(CCCF)CCOC1
InChIInChI=1S/C8H16FNO/c9-4-1-2-8(6-10)3-5-11-7-8/h1-7,10H2
InChIKeyPJOJUUQUOKFCKB-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds4

About [3-(3-fluoropropyl)oxolan-3-yl]methanamine

[3-(3-fluoropropyl)oxolan-3-yl]methanamine (PubChem CID 130514922) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [3-(3-fluoropropyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoropropyl)oxolan-3-yl]methanamine
PubChem CID130514922
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[3-(3-fluoropropyl)oxolan-3-yl]methanamine
SMILESNCC1(CCCF)CCOC1
InChIInChI=1S/C8H16FNO/c9-4-1-2-8(6-10)3-5-11-7-8/h1-7,10H2
InChIKeyPJOJUUQUOKFCKB-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropropyl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(3-fluoropropyl)oxolan-3-yl]methanamine (CID 130514922) is [3-(3-fluoropropyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-fluoropropyl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(3-fluoropropyl)oxolan-3-yl]methanamine is NCC1(CCCF)CCOC1.
What is the InChIKey of [3-(3-fluoropropyl)oxolan-3-yl]methanamine?
The InChIKey is PJOJUUQUOKFCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-4-1-2-8(6-10)3-5-11-7-8/h1-7,10H2.
What are the key properties of [3-(3-fluoropropyl)oxolan-3-yl]methanamine?
[3-(3-fluoropropyl)oxolan-3-yl]methanamine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoropropyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 130514922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).