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

C10H18F2N2 — CID 155745232

IUPAC(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine
SMILESCN/C1=C(\N)C(F)(F)C(C)CCCC1
InChIInChI=1S/C10H18F2N2/c1-7-5-3-4-6-8(14-2)9(13)10(7,11)12/h7,14H,3-6,13H2,1-2H3/b9-8-
InChIKeyGLPFRKZXSYUFDR-HJWRWDBZSA-N
MW204.26 g/mol
LogP2.22
Rot. Bonds1

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

(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine (PubChem CID 155745232) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine
PubChem CID155745232
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine
SMILESCN/C1=C(\N)C(F)(F)C(C)CCCC1
InChIInChI=1S/C10H18F2N2/c1-7-5-3-4-6-8(14-2)9(13)10(7,11)12/h7,14H,3-6,13H2,1-2H3/b9-8-
InChIKeyGLPFRKZXSYUFDR-HJWRWDBZSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.22
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-1-N,4-dimethylcyclooctene-1,2-diamine;ethane
CID 155745231
(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-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?
The IUPAC name of (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine (CID 155745232) is (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine.
What is the SMILES notation for (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine?
The canonical SMILES for (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine is 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?
The InChIKey is GLPFRKZXSYUFDR-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-7-5-3-4-6-8(14-2)9(13)10(7,11)12/h7,14H,3-6,13H2,1-2H3/b9-8-.
What are the key properties of (1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine?
(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine has a molecular weight of 204.26 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 155745232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).