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

C9H16F2N2 — CID 155745415

IUPAC(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine
SMILESCC1CCCC/C(N)=C(/N)C1(F)F
InChIInChI=1S/C9H16F2N2/c1-6-4-2-3-5-7(12)8(13)9(6,10)11/h6H,2-5,12-13H2,1H3/b8-7-
InChIKeyCQDBNVMQPBIHKR-FPLPWBNLSA-N
MW190.24 g/mol
LogP1.96
Rot. Bonds

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

(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine (PubChem CID 155745415) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine
PubChem CID155745415
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine
SMILESCC1CCCC/C(N)=C(/N)C1(F)F
InChIInChI=1S/C9H16F2N2/c1-6-4-2-3-5-7(12)8(13)9(6,10)11/h6H,2-5,12-13H2,1H3/b8-7-
InChIKeyCQDBNVMQPBIHKR-FPLPWBNLSA-N
XLogP1.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.96
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-4-methylcyclooctene-1,2-diamine;ethane
CID 155745414
(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

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine?
The IUPAC name of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine (CID 155745415) is (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine.
What is the SMILES notation for (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine?
The canonical SMILES for (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine is CC1CCCC/C(N)=C(/N)C1(F)F.
What is the InChIKey of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine?
The InChIKey is CQDBNVMQPBIHKR-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-6-4-2-3-5-7(12)8(13)9(6,10)11/h6H,2-5,12-13H2,1H3/b8-7-.
What are the key properties of (1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine?
(1Z)-3,3-difluoro-4-methylcyclooctene-1,2-diamine has a molecular weight of 190.24 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 155745415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).