(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane

C12H24F2N2 — CID 155745231

IUPAC(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane
SMILESCC.CN/C1=C(\N)C(F)(F)C(C)CCCC1
InChIInChI=1S/C10H18F2N2.C2H6/c1-7-5-3-4-6-8(14-2)9(13)10(7,11)12;1-2/h7,14H,3-6,13H2,1-2H3;1-2H3/b9-8-;
InChIKeyGSGRFJVGHPRELL-UOQXYWCXSA-N
MW234.33 g/mol
LogP3.25
Rot. Bonds1

About (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane

(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane (PubChem CID 155745231) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane
PubChem CID155745231
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane
SMILESCC.CN/C1=C(\N)C(F)(F)C(C)CCCC1
InChIInChI=1S/C10H18F2N2.C2H6/c1-7-5-3-4-6-8(14-2)9(13)10(7,11)12;1-2/h7,14H,3-6,13H2,1-2H3;1-2H3/b9-8-;
InChIKeyGSGRFJVGHPRELL-UOQXYWCXSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
CID 145278390
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 145278392
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 153352608
(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane
CID 155745414
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
CID 170135743
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
CID 145278391
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 145278393
(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine
CID 155745232
(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine
CID 155745415
8,8-Difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine
CID 162608093
N,4-dimethyl-2-propylcyclohexen-1-amine
CID 137439492
(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine
CID 154931613

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane?
The IUPAC name of (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane (CID 155745231) is (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane.
What is the SMILES notation for (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane?
The canonical SMILES for (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane is CC.CN/C1=C(\N)C(F)(F)C(C)CCCC1.
What is the InChIKey of (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane?
The InChIKey is GSGRFJVGHPRELL-UOQXYWCXSA-N. The full InChI is InChI=1S/C10H18F2N2.C2H6/c1-7-5-3-4-6-8(14-2)9(13)10(7,11)12;1-2/h7,14H,3-6,13H2,1-2H3;1-2H3/b9-8-;.
What are the key properties of (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane?
(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane has a molecular weight of 234.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane is sourced from PubChem (CID 155745231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).