(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine

C9H18F2N4 — CID 177230257

IUPAC(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine
SMILESCC1CC/C(N)=C(/N(N)N)C(F)(F)CC1
InChIInChI=1S/C9H18F2N4/c1-6-2-3-7(12)8(15(13)14)9(10,11)5-4-6/h6H,2-5,12-14H2,1H3/b8-7-
InChIKeySMAUSLJZCCXBKJ-FPLPWBNLSA-N
MW220.27 g/mol
LogP1.05
Rot. Bonds1

About (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine

(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine (PubChem CID 177230257) has the molecular formula C9H18F2N4 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine
PubChem CID177230257
Molecular FormulaC9H18F2N4
Molecular Weight220.27 g/mol
Exact Mass220.15
IUPAC Name(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine
SMILESCC1CC/C(N)=C(/N(N)N)C(F)(F)CC1
InChIInChI=1S/C9H18F2N4/c1-6-2-3-7(12)8(15(13)14)9(10,11)5-4-6/h6H,2-5,12-14H2,1H3/b8-7-
InChIKeySMAUSLJZCCXBKJ-FPLPWBNLSA-N
XLogP1.05
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
4,4-Difluoro-5-methyl-1,2,3,5,6,7,8,9-octahydrocycloocta[d]triazole
CID 164157090
(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(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
CID 170135743
[[(1Z)-2-amino-4-(2,2-dimethylpropyl)-8,8-difluorocycloocten-1-yl]amino]-methylidyneazanium
CID 170190053
(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

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine?
The IUPAC name of (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine (CID 177230257) is (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine.
What is the SMILES notation for (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine?
The canonical SMILES for (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine is CC1CC/C(N)=C(/N(N)N)C(F)(F)CC1.
What is the InChIKey of (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine?
The InChIKey is SMAUSLJZCCXBKJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H18F2N4/c1-6-2-3-7(12)8(15(13)14)9(10,11)5-4-6/h6H,2-5,12-14H2,1H3/b8-7-.
What are the key properties of (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine?
(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine has a molecular weight of 220.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine is sourced from PubChem (CID 177230257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).