1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane

C10H13F3N2O — CID 115101697

IUPAC1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane
SMILESFC(F)(F)C1CNCCCN1c1ccco1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8-7-14-4-2-5-15(8)9-3-1-6-16-9/h1,3,6,8,14H,2,4-5,7H2
InChIKeyBJMWHDRRJXJADC-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.01
Rot. Bonds1

About 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane

1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane (PubChem CID 115101697) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane
PubChem CID115101697
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane
SMILESFC(F)(F)C1CNCCCN1c1ccco1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8-7-14-4-2-5-15(8)9-3-1-6-16-9/h1,3,6,8,14H,2,4-5,7H2
InChIKeyBJMWHDRRJXJADC-UHFFFAOYSA-N
XLogP2.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
Allylfurylamine
CID 67975741
N-(2-fluoroethyl)furan-2-amine
CID 141369242
5-fluoro-N-propan-2-ylfuran-2-amine
CID 154964947
4,4-Difluoro-1-(furan-2-yl)piperidine
CID 176206464
N,N-bis(prop-2-enyl)furan-2-amine
CID 70450767
N,N'-bis(furan-2-yl)ethane-1,2-diamine
CID 14274752
Furylcyclohexylamine
CID 129797347
1-(Furan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101312
1-(5-Bromofuran-2-yl)-2-(trifluoromethyl)piperazine
CID 115101315
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
1-(Furan-2-yl)-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101565

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane?
The IUPAC name of 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane (CID 115101697) is 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane.
What is the SMILES notation for 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane?
The canonical SMILES for 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane is FC(F)(F)C1CNCCCN1c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane?
The InChIKey is BJMWHDRRJXJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)8-7-14-4-2-5-15(8)9-3-1-6-16-9/h1,3,6,8,14H,2,4-5,7H2.
What are the key properties of 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane?
1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane has a molecular weight of 234.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane is sourced from PubChem (CID 115101697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).