4-(3-bromofuran-2-yl)-4-fluoroazepane

C10H13BrFNO — CID 103983966

IUPAC4-(3-bromofuran-2-yl)-4-fluoroazepane
SMILESFC1(c2occc2Br)CCCNCC1
InChIInChI=1S/C10H13BrFNO/c11-8-2-7-14-9(8)10(12)3-1-5-13-6-4-10/h2,7,13H,1,3-6H2
InChIKeyAPSCMVSUWTXELJ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.98
Rot. Bonds1

About 4-(3-bromofuran-2-yl)-4-fluoroazepane

4-(3-bromofuran-2-yl)-4-fluoroazepane (PubChem CID 103983966) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 4-(3-bromofuran-2-yl)-4-fluoroazepane.

Molecular Properties

Compound Name4-(3-bromofuran-2-yl)-4-fluoroazepane
PubChem CID103983966
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name4-(3-bromofuran-2-yl)-4-fluoroazepane
SMILESFC1(c2occc2Br)CCCNCC1
InChIInChI=1S/C10H13BrFNO/c11-8-2-7-14-9(8)10(12)3-1-5-13-6-4-10/h2,7,13H,1,3-6H2
InChIKeyAPSCMVSUWTXELJ-UHFFFAOYSA-N
XLogP2.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromofuran-2-yl)-4-fluoroazepane?
The IUPAC name of 4-(3-bromofuran-2-yl)-4-fluoroazepane (CID 103983966) is 4-(3-bromofuran-2-yl)-4-fluoroazepane.
What is the SMILES notation for 4-(3-bromofuran-2-yl)-4-fluoroazepane?
The canonical SMILES for 4-(3-bromofuran-2-yl)-4-fluoroazepane is FC1(c2occc2Br)CCCNCC1.
What is the InChIKey of 4-(3-bromofuran-2-yl)-4-fluoroazepane?
The InChIKey is APSCMVSUWTXELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c11-8-2-7-14-9(8)10(12)3-1-5-13-6-4-10/h2,7,13H,1,3-6H2.
What are the key properties of 4-(3-bromofuran-2-yl)-4-fluoroazepane?
4-(3-bromofuran-2-yl)-4-fluoroazepane has a molecular weight of 262.12 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromofuran-2-yl)-4-fluoroazepane is sourced from PubChem (CID 103983966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).