1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine

C11H16F5N — CID 55034510

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCCNC(C1=CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5N/c1-2-17-9(8-6-4-3-5-7-8)10(12,13)11(14,15)16/h6,9,17H,2-5,7H2,1H3
InChIKeyJEEBJDOUPONMSD-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.66
Rot. Bonds4

About 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 55034510) has the molecular formula C11H16F5N and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID55034510
Molecular FormulaC11H16F5N
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCCNC(C1=CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5N/c1-2-17-9(8-6-4-3-5-7-8)10(12,13)11(14,15)16/h6,9,17H,2-5,7H2,1H3
InChIKeyJEEBJDOUPONMSD-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine (CID 55034510) is 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine is CCNC(C1=CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is JEEBJDOUPONMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5N/c1-2-17-9(8-6-4-3-5-7-8)10(12,13)11(14,15)16/h6,9,17H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 257.25 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 55034510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).