N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine

C11H11F10N — CID 162455182

IUPACN-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine
SMILESFC(F)(F)CN(C1=CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F10N/c12-8(13,14)6-22(7-4-2-1-3-5-7)11(20,21)9(15,16)10(17,18)19/h4H,1-3,5-6H2
InChIKeyHZNNGIRWQOWGTA-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.10
Rot. Bonds4

About N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine

N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine (PubChem CID 162455182) has the molecular formula C11H11F10N and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine
PubChem CID162455182
Molecular FormulaC11H11F10N
Molecular Weight347.20 g/mol
Exact Mass347.07
IUPAC NameN-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine
SMILESFC(F)(F)CN(C1=CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F10N/c12-8(13,14)6-22(7-4-2-1-3-5-7)11(20,21)9(15,16)10(17,18)19/h4H,1-3,5-6H2
InChIKeyHZNNGIRWQOWGTA-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine?
The IUPAC name of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine (CID 162455182) is N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine.
What is the SMILES notation for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine?
The canonical SMILES for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine is FC(F)(F)CN(C1=CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine?
The InChIKey is HZNNGIRWQOWGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F10N/c12-8(13,14)6-22(7-4-2-1-3-5-7)11(20,21)9(15,16)10(17,18)19/h4H,1-3,5-6H2.
What are the key properties of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine?
N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine has a molecular weight of 347.20 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclohexen-1-amine is sourced from PubChem (CID 162455182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).