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

C11H22F2N2 — CID 155745414

IUPAC(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane
SMILESCC.CC1CCCC/C(N)=C(/N)C1(F)F
InChIInChI=1S/C9H16F2N2.C2H6/c1-6-4-2-3-5-7(12)8(13)9(6,10)11;1-2/h6H,2-5,12-13H2,1H3;1-2H3/b8-7-;
InChIKeyYXAMEGXBTKJSTC-CFYXSCKTSA-N
MW220.31 g/mol
LogP2.99
Rot. Bonds

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

(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane (PubChem CID 155745414) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane
PubChem CID155745414
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane
SMILESCC.CC1CCCC/C(N)=C(/N)C1(F)F
InChIInChI=1S/C9H16F2N2.C2H6/c1-6-4-2-3-5-7(12)8(13)9(6,10)11;1-2/h6H,2-5,12-13H2,1H3;1-2H3/b8-7-;
InChIKeyYXAMEGXBTKJSTC-CFYXSCKTSA-N
XLogP2.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
CID 126592411
4,4-Difluoro-2-propan-2-ylcyclopenten-1-amine
CID 135197701
7,7-Difluoro-2,5-dimethylcyclohepten-1-amine
CID 138725909
(1E)-3,3-difluoro-2,4-dimethylcycloocten-1-amine
CID 144433416
2,7-Dimethyl-4,6-bis(trifluoromethyl)cyclohepten-1-amine
CID 154987114
(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane
CID 155745231
(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine
CID 166865390
4,4-Difluoro-5-methyl-1,2,3,5,6,7,8,9-octahydrocycloocta[d]triazole;ethane
CID 169150474
[[(1Z)-2-amino-4-(2,2-dimethylpropyl)-8,8-difluorocycloocten-1-yl]amino]-methylidyneazanium
CID 170190053
(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine
CID 177230257
(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine
CID 155745232
(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine
CID 155745415

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane?
The IUPAC name of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane (CID 155745414) is (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane.
What is the SMILES notation for (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane?
The canonical SMILES for (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane is CC.CC1CCCC/C(N)=C(/N)C1(F)F.
What is the InChIKey of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane?
The InChIKey is YXAMEGXBTKJSTC-CFYXSCKTSA-N. The full InChI is InChI=1S/C9H16F2N2.C2H6/c1-6-4-2-3-5-7(12)8(13)9(6,10)11;1-2/h6H,2-5,12-13H2,1H3;1-2H3/b8-7-;.
What are the key properties of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane?
(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane has a molecular weight of 220.31 g/mol, XLogP of 2.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine;ethane is sourced from PubChem (CID 155745414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).