[4-(2-fluoroethyl)oxolan-3-yl]methanamine

C7H14FNO — CID 115011725

IUPAC[4-(2-fluoroethyl)oxolan-3-yl]methanamine
SMILESNCC1COCC1CCF
InChIInChI=1S/C7H14FNO/c8-2-1-6-4-10-5-7(6)3-9/h6-7H,1-5,9H2
InChIKeyJKEBGWZLJYKCJK-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.57
Rot. Bonds3

About [4-(2-fluoroethyl)oxolan-3-yl]methanamine

[4-(2-fluoroethyl)oxolan-3-yl]methanamine (PubChem CID 115011725) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is [4-(2-fluoroethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoroethyl)oxolan-3-yl]methanamine
PubChem CID115011725
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name[4-(2-fluoroethyl)oxolan-3-yl]methanamine
SMILESNCC1COCC1CCF
InChIInChI=1S/C7H14FNO/c8-2-1-6-4-10-5-7(6)3-9/h6-7H,1-5,9H2
InChIKeyJKEBGWZLJYKCJK-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)oxolan-3-yl]methanamine?
The IUPAC name of [4-(2-fluoroethyl)oxolan-3-yl]methanamine (CID 115011725) is [4-(2-fluoroethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [4-(2-fluoroethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [4-(2-fluoroethyl)oxolan-3-yl]methanamine is NCC1COCC1CCF.
What is the InChIKey of [4-(2-fluoroethyl)oxolan-3-yl]methanamine?
The InChIKey is JKEBGWZLJYKCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-2-1-6-4-10-5-7(6)3-9/h6-7H,1-5,9H2.
What are the key properties of [4-(2-fluoroethyl)oxolan-3-yl]methanamine?
[4-(2-fluoroethyl)oxolan-3-yl]methanamine has a molecular weight of 147.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 115011725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).