2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane

C9H18F2N2 — CID 170416868

IUPAC2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane
SMILESCC(C)C1CCNC(C(C)(F)F)N1
InChIInChI=1S/C9H18F2N2/c1-6(2)7-4-5-12-8(13-7)9(3,10)11/h6-8,12-13H,4-5H2,1-3H3
InChIKeyOCMRGNTUQRUSNS-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.58
Rot. Bonds2

About 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane

2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane (PubChem CID 170416868) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane
PubChem CID170416868
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane
SMILESCC(C)C1CCNC(C(C)(F)F)N1
InChIInChI=1S/C9H18F2N2/c1-6(2)7-4-5-12-8(13-7)9(3,10)11/h6-8,12-13H,4-5H2,1-3H3
InChIKeyOCMRGNTUQRUSNS-UHFFFAOYSA-N
XLogP1.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane?
The IUPAC name of 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane (CID 170416868) is 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane is CC(C)C1CCNC(C(C)(F)F)N1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane?
The InChIKey is OCMRGNTUQRUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-6(2)7-4-5-12-8(13-7)9(3,10)11/h6-8,12-13H,4-5H2,1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane?
2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane has a molecular weight of 192.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-propan-2-yl-1,3-diazinane is sourced from PubChem (CID 170416868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).