[4-(2-fluoroethyl)oxan-4-yl]methanamine

C8H16FNO — CID 126977403

IUPAC[4-(2-fluoroethyl)oxan-4-yl]methanamine
SMILESNCC1(CCF)CCOCC1
InChIInChI=1S/C8H16FNO/c9-4-1-8(7-10)2-5-11-6-3-8/h1-7,10H2
InChIKeyUPVOHWPHOBBCEC-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds3

About [4-(2-fluoroethyl)oxan-4-yl]methanamine

[4-(2-fluoroethyl)oxan-4-yl]methanamine (PubChem CID 126977403) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [4-(2-fluoroethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoroethyl)oxan-4-yl]methanamine
PubChem CID126977403
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[4-(2-fluoroethyl)oxan-4-yl]methanamine
SMILESNCC1(CCF)CCOCC1
InChIInChI=1S/C8H16FNO/c9-4-1-8(7-10)2-5-11-6-3-8/h1-7,10H2
InChIKeyUPVOHWPHOBBCEC-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-fluoroethyl)oxan-4-yl]methanamine (CID 126977403) is [4-(2-fluoroethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-fluoroethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-fluoroethyl)oxan-4-yl]methanamine is NCC1(CCF)CCOCC1.
What is the InChIKey of [4-(2-fluoroethyl)oxan-4-yl]methanamine?
The InChIKey is UPVOHWPHOBBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-4-1-8(7-10)2-5-11-6-3-8/h1-7,10H2.
What are the key properties of [4-(2-fluoroethyl)oxan-4-yl]methanamine?
[4-(2-fluoroethyl)oxan-4-yl]methanamine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 126977403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).