1-(2-fluoroethyl)azepan-3-amine

C8H17FN2 — CID 139698915

IUPAC1-(2-fluoroethyl)azepan-3-amine
SMILESNC1CCCCN(CCF)C1
InChIInChI=1S/C8H17FN2/c9-4-6-11-5-2-1-3-8(10)7-11/h8H,1-7,10H2
InChIKeyKNFXLZJBKQYMEI-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds2

About 1-(2-fluoroethyl)azepan-3-amine

1-(2-fluoroethyl)azepan-3-amine (PubChem CID 139698915) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)azepan-3-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)azepan-3-amine
PubChem CID139698915
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(2-fluoroethyl)azepan-3-amine
SMILESNC1CCCCN(CCF)C1
InChIInChI=1S/C8H17FN2/c9-4-6-11-5-2-1-3-8(10)7-11/h8H,1-7,10H2
InChIKeyKNFXLZJBKQYMEI-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)azepan-3-amine?
The IUPAC name of 1-(2-fluoroethyl)azepan-3-amine (CID 139698915) is 1-(2-fluoroethyl)azepan-3-amine.
What is the SMILES notation for 1-(2-fluoroethyl)azepan-3-amine?
The canonical SMILES for 1-(2-fluoroethyl)azepan-3-amine is NC1CCCCN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)azepan-3-amine?
The InChIKey is KNFXLZJBKQYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c9-4-6-11-5-2-1-3-8(10)7-11/h8H,1-7,10H2.
What are the key properties of 1-(2-fluoroethyl)azepan-3-amine?
1-(2-fluoroethyl)azepan-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)azepan-3-amine is sourced from PubChem (CID 139698915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).