1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine

C14H28F2N2 — CID 153404595

IUPAC1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
SMILESCC.CC(F)F.[H]/N=C/C(=C\C)C1CCC(N)CC1
InChIInChI=1S/C10H18N2.C2H4F2.C2H6/c1-2-8(7-11)9-3-5-10(12)6-4-9;1-2(3)4;1-2/h2,7,9-11H,3-6,12H2,1H3;2H,1H3;1-2H3/b8-2+,11-7+;;
InChIKeyBMXSFBSXOCUAGU-JKGCVFNESA-N
MW262.39 g/mol
LogP4.40
Rot. Bonds2

About 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine

1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine (PubChem CID 153404595) has the molecular formula C14H28F2N2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
PubChem CID153404595
Molecular FormulaC14H28F2N2
Molecular Weight262.39 g/mol
Exact Mass262.22
IUPAC Name1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
SMILESCC.CC(F)F.[H]/N=C/C(=C\C)C1CCC(N)CC1
InChIInChI=1S/C10H18N2.C2H4F2.C2H6/c1-2-8(7-11)9-3-5-10(12)6-4-9;1-2(3)4;1-2/h2,7,9-11H,3-6,12H2,1H3;2H,1H3;1-2H3/b8-2+,11-7+;;
InChIKeyBMXSFBSXOCUAGU-JKGCVFNESA-N
XLogP4.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine with MolForge

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Related Compounds

1-[3-Ethyl-4-(trifluoromethyl)-2,3-dihydropyridin-2-yl]propan-1-amine
CID 123146556
2-(4,4-Difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine
CID 123284441
1-[1-Methanimidoyl-2-(5,5,5-trifluoropentan-2-yl)cyclobut-2-en-1-yl]ethanamine
CID 124095499
4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine
CID 146392371
4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404764
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404815
3-[5-[Difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine
CID 155416854
1-(4,4-Difluorocyclohexyl)-3-methylbut-2-en-1-amine
CID 105163433
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404816
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404946
4-[(Z)-2-iminohex-3-en-3-yl]cyclohexan-1-amine
CID 144321613
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404945

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine (CID 153404595) is 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine is CC.CC(F)F.[H]/N=C/C(=C\C)C1CCC(N)CC1.
What is the InChIKey of 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
The InChIKey is BMXSFBSXOCUAGU-JKGCVFNESA-N. The full InChI is InChI=1S/C10H18N2.C2H4F2.C2H6/c1-2-8(7-11)9-3-5-10(12)6-4-9;1-2(3)4;1-2/h2,7,9-11H,3-6,12H2,1H3;2H,1H3;1-2H3/b8-2+,11-7+;;.
What are the key properties of 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine has a molecular weight of 262.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethane;ethane;4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 153404595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).