4-(2-fluoroethyl)oxan-4-amine

C7H14FNO — CID 130515373

IUPAC4-(2-fluoroethyl)oxan-4-amine
SMILESNC1(CCF)CCOCC1
InChIInChI=1S/C7H14FNO/c8-4-1-7(9)2-5-10-6-3-7/h1-6,9H2
InChIKeyZOVHIBRKCJZPTP-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.85
Rot. Bonds2

About 4-(2-fluoroethyl)oxan-4-amine

4-(2-fluoroethyl)oxan-4-amine (PubChem CID 130515373) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-(2-fluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-fluoroethyl)oxan-4-amine
PubChem CID130515373
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-(2-fluoroethyl)oxan-4-amine
SMILESNC1(CCF)CCOCC1
InChIInChI=1S/C7H14FNO/c8-4-1-7(9)2-5-10-6-3-7/h1-6,9H2
InChIKeyZOVHIBRKCJZPTP-UHFFFAOYSA-N
XLogP0.85
TPSA35.25 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 ≤ 50.85
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-amine?
The IUPAC name of 4-(2-fluoroethyl)oxan-4-amine (CID 130515373) is 4-(2-fluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(2-fluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(2-fluoroethyl)oxan-4-amine is NC1(CCF)CCOCC1.
What is the InChIKey of 4-(2-fluoroethyl)oxan-4-amine?
The InChIKey is ZOVHIBRKCJZPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-4-1-7(9)2-5-10-6-3-7/h1-6,9H2.
What are the key properties of 4-(2-fluoroethyl)oxan-4-amine?
4-(2-fluoroethyl)oxan-4-amine has a molecular weight of 147.19 g/mol, XLogP of 0.85, 2 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-amine is sourced from PubChem (CID 130515373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).