ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine

C13H32FNO — CID 142810077

IUPACethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
SMILESCC.CC.CCF.CO/C(=C\C(C)C)CN
InChIInChI=1S/C7H15NO.C2H5F.2C2H6/c1-6(2)4-7(5-8)9-3;1-2-3;2*1-2/h4,6H,5,8H2,1-3H3;2H2,1H3;2*1-2H3/b7-4-;;;
InChIKeyLBEIGXJZTUTMJT-LSQFMHCWSA-N
MW237.40 g/mol
LogP4.16
Rot. Bonds3

About ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine

ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine (PubChem CID 142810077) has the molecular formula C13H32FNO and a molecular weight of 237.40 g/mol. Its IUPAC name is ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine.

Molecular Properties

Compound Nameethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
PubChem CID142810077
Molecular FormulaC13H32FNO
Molecular Weight237.40 g/mol
Exact Mass237.25
IUPAC Nameethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
SMILESCC.CC.CCF.CO/C(=C\C(C)C)CN
InChIInChI=1S/C7H15NO.C2H5F.2C2H6/c1-6(2)4-7(5-8)9-3;1-2-3;2*1-2/h4,6H,5,8H2,1-3H3;2H2,1H3;2*1-2H3/b7-4-;;;
InChIKeyLBEIGXJZTUTMJT-LSQFMHCWSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-4-methylpent-2-en-1-amine
CID 54437080
(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine;2-methylpropane
CID 142180785
(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
CID 142810125
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
CID 142810190
ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane
CID 142883613
(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane
CID 143080229
3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
CID 177319822
2-[(Z)-4-methylpent-2-en-3-yl]oxyprop-2-en-1-amine
CID 177319933
(Z)-2-methoxy-4,5-dimethylhex-2-en-1-amine
CID 142180786
(Z)-2-methoxy-4-methylpent-2-en-1-amine
CID 142810078
(Z)-2-propoxypent-2-en-1-amine
CID 143076808
(Z)-2-ethoxy-4-methylpent-2-en-1-amine
CID 143080230

Frequently Asked Questions

What is the IUPAC name of ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine?
The IUPAC name of ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine (CID 142810077) is ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine.
What is the SMILES notation for ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine?
The canonical SMILES for ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine is CC.CC.CCF.CO/C(=C\C(C)C)CN.
What is the InChIKey of ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine?
The InChIKey is LBEIGXJZTUTMJT-LSQFMHCWSA-N. The full InChI is InChI=1S/C7H15NO.C2H5F.2C2H6/c1-6(2)4-7(5-8)9-3;1-2-3;2*1-2/h4,6H,5,8H2,1-3H3;2H2,1H3;2*1-2H3/b7-4-;;;.
What are the key properties of ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine?
ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine has a molecular weight of 237.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine is sourced from PubChem (CID 142810077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).