(5-fluorooxepan-4-yl)methanamine

C7H14FNO — CID 84763025

IUPAC(5-fluorooxepan-4-yl)methanamine
SMILESNCC1CCOCCC1F
InChIInChI=1S/C7H14FNO/c8-7-2-4-10-3-1-6(7)5-9/h6-7H,1-5,9H2
InChIKeyXPCSTOLNKWKPKQ-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.71
Rot. Bonds1

About (5-fluorooxepan-4-yl)methanamine

(5-fluorooxepan-4-yl)methanamine (PubChem CID 84763025) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (5-fluorooxepan-4-yl)methanamine.

Molecular Properties

Compound Name(5-fluorooxepan-4-yl)methanamine
PubChem CID84763025
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(5-fluorooxepan-4-yl)methanamine
SMILESNCC1CCOCCC1F
InChIInChI=1S/C7H14FNO/c8-7-2-4-10-3-1-6(7)5-9/h6-7H,1-5,9H2
InChIKeyXPCSTOLNKWKPKQ-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluorooxepan-4-yl)methanamine?
The IUPAC name of (5-fluorooxepan-4-yl)methanamine (CID 84763025) is (5-fluorooxepan-4-yl)methanamine.
What is the SMILES notation for (5-fluorooxepan-4-yl)methanamine?
The canonical SMILES for (5-fluorooxepan-4-yl)methanamine is NCC1CCOCCC1F.
What is the InChIKey of (5-fluorooxepan-4-yl)methanamine?
The InChIKey is XPCSTOLNKWKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-7-2-4-10-3-1-6(7)5-9/h6-7H,1-5,9H2.
What are the key properties of (5-fluorooxepan-4-yl)methanamine?
(5-fluorooxepan-4-yl)methanamine has a molecular weight of 147.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorooxepan-4-yl)methanamine is sourced from PubChem (CID 84763025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).