1-(3-fluoropropyl)-1,4-diazepane

C8H17FN2 — CID 22281290

IUPAC1-(3-fluoropropyl)-1,4-diazepane
SMILESFCCCN1CCCNCC1
InChIInChI=1S/C8H17FN2/c9-3-1-6-11-7-2-4-10-5-8-11/h10H,1-8H2
InChIKeySWWOCDQDQYWYQE-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.64
Rot. Bonds3

About 1-(3-fluoropropyl)-1,4-diazepane

1-(3-fluoropropyl)-1,4-diazepane (PubChem CID 22281290) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-fluoropropyl)-1,4-diazepane
PubChem CID22281290
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(3-fluoropropyl)-1,4-diazepane
SMILESFCCCN1CCCNCC1
InChIInChI=1S/C8H17FN2/c9-3-1-6-11-7-2-4-10-5-8-11/h10H,1-8H2
InChIKeySWWOCDQDQYWYQE-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-1,4-diazepane?
The IUPAC name of 1-(3-fluoropropyl)-1,4-diazepane (CID 22281290) is 1-(3-fluoropropyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-fluoropropyl)-1,4-diazepane?
The canonical SMILES for 1-(3-fluoropropyl)-1,4-diazepane is FCCCN1CCCNCC1.
What is the InChIKey of 1-(3-fluoropropyl)-1,4-diazepane?
The InChIKey is SWWOCDQDQYWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c9-3-1-6-11-7-2-4-10-5-8-11/h10H,1-8H2.
What are the key properties of 1-(3-fluoropropyl)-1,4-diazepane?
1-(3-fluoropropyl)-1,4-diazepane has a molecular weight of 160.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-1,4-diazepane is sourced from PubChem (CID 22281290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).