3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane

C10H18F2N2 — CID 64871119

IUPAC3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane
SMILESFC(F)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)7-14-5-1-4-13-9(6-14)8-2-3-8/h8-10,13H,1-7H2
InChIKeyBJUWDFAQOUWALQ-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.33
Rot. Bonds3

About 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane

3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane (PubChem CID 64871119) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane
PubChem CID64871119
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane
SMILESFC(F)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)7-14-5-1-4-13-9(6-14)8-2-3-8/h8-10,13H,1-7H2
InChIKeyBJUWDFAQOUWALQ-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane (CID 64871119) is 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane is FC(F)CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane?
The InChIKey is BJUWDFAQOUWALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)7-14-5-1-4-13-9(6-14)8-2-3-8/h8-10,13H,1-7H2.
What are the key properties of 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane?
3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane has a molecular weight of 204.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-difluoroethyl)-1,4-diazepane is sourced from PubChem (CID 64871119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).