N-ethyl-3-fluorooxan-4-amine

C7H14FNO — CID 139538368

IUPACN-ethyl-3-fluorooxan-4-amine
SMILESCCNC1CCOCC1F
InChIInChI=1S/C7H14FNO/c1-2-9-7-3-4-10-5-6(7)8/h6-7,9H,2-5H2,1H3
InChIKeyOMFCUDDXUKNSTM-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds2

About N-ethyl-3-fluorooxan-4-amine

N-ethyl-3-fluorooxan-4-amine (PubChem CID 139538368) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-ethyl-3-fluorooxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-fluorooxan-4-amine
PubChem CID139538368
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-ethyl-3-fluorooxan-4-amine
SMILESCCNC1CCOCC1F
InChIInChI=1S/C7H14FNO/c1-2-9-7-3-4-10-5-6(7)8/h6-7,9H,2-5H2,1H3
InChIKeyOMFCUDDXUKNSTM-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluorooxan-4-amine?
The IUPAC name of N-ethyl-3-fluorooxan-4-amine (CID 139538368) is N-ethyl-3-fluorooxan-4-amine.
What is the SMILES notation for N-ethyl-3-fluorooxan-4-amine?
The canonical SMILES for N-ethyl-3-fluorooxan-4-amine is CCNC1CCOCC1F.
What is the InChIKey of N-ethyl-3-fluorooxan-4-amine?
The InChIKey is OMFCUDDXUKNSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-9-7-3-4-10-5-6(7)8/h6-7,9H,2-5H2,1H3.
What are the key properties of N-ethyl-3-fluorooxan-4-amine?
N-ethyl-3-fluorooxan-4-amine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluorooxan-4-amine is sourced from PubChem (CID 139538368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).