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

C9H12F5N — CID 62078311

IUPAC1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(C1=CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5N/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h4,7H,1-3,5,15H2
InChIKeyBIVFAMQIWWVBIG-UHFFFAOYSA-N
MW229.19 g/mol
LogP3.01
Rot. Bonds2

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

1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 62078311) has the molecular formula C9H12F5N and a molecular weight of 229.19 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID62078311
Molecular FormulaC9H12F5N
Molecular Weight229.19 g/mol
Exact Mass229.09
IUPAC Name1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(C1=CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5N/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h4,7H,1-3,5,15H2
InChIKeyBIVFAMQIWWVBIG-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 53.01
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)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 62078311) is 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine is NC(C1=CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is BIVFAMQIWWVBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5N/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h4,7H,1-3,5,15H2.
What are the key properties of 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 229.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 62078311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).