7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine

C12H18F2N2 — CID 123285047

IUPAC7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine
SMILESC=C1/N=C\C(C(C)(F)F)=CCNCC1(C)C
InChIInChI=1S/C12H18F2N2/c1-9-11(2,3)8-15-6-5-10(7-16-9)12(4,13)14/h5,7,15H,1,6,8H2,2-4H3/b10-5?,16-7-
InChIKeyLNXHAOZOSNBUJA-GHOPPDRMSA-N
MW228.29 g/mol
LogP2.78
Rot. Bonds1

About 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine

7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine (PubChem CID 123285047) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine.

Molecular Properties

Compound Name7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine
PubChem CID123285047
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine
SMILESC=C1/N=C\C(C(C)(F)F)=CCNCC1(C)C
InChIInChI=1S/C12H18F2N2/c1-9-11(2,3)8-15-6-5-10(7-16-9)12(4,13)14/h5,7,15H,1,6,8H2,2-4H3/b10-5?,16-7-
InChIKeyLNXHAOZOSNBUJA-GHOPPDRMSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine
CID 134466394
N-[[2-(1,1-difluoroethyl)-4H-azepin-6-yl]methyl]cyclopropanamine
CID 163895124
(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine
CID 162562865
N,4-dimethyl-3-(2-methylprop-2-enylideneamino)pent-3-en-1-amine;fluoromethane
CID 172387389

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine?
The IUPAC name of 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine (CID 123285047) is 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine.
What is the SMILES notation for 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine?
The canonical SMILES for 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine is C=C1/N=C\C(C(C)(F)F)=CCNCC1(C)C.
What is the InChIKey of 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine?
The InChIKey is LNXHAOZOSNBUJA-GHOPPDRMSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-9-11(2,3)8-15-6-5-10(7-16-9)12(4,13)14/h5,7,15H,1,6,8H2,2-4H3/b10-5?,16-7-.
What are the key properties of 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine?
7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine has a molecular weight of 228.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoroethyl)-3,3-dimethyl-4-methylidene-2,9-dihydro-1H-1,5-diazonine is sourced from PubChem (CID 123285047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).