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

C10H9F10N — CID 162455183

IUPACN-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine
SMILESFC(F)(F)CN(C1=CCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F10N/c11-7(12,13)5-21(6-3-1-2-4-6)10(19,20)8(14,15)9(16,17)18/h3H,1-2,4-5H2
InChIKeyRFPKUSDZXHOBPI-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.71
Rot. Bonds4

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

N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine (PubChem CID 162455183) has the molecular formula C10H9F10N and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine
PubChem CID162455183
Molecular FormulaC10H9F10N
Molecular Weight333.17 g/mol
Exact Mass333.06
IUPAC NameN-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine
SMILESFC(F)(F)CN(C1=CCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F10N/c11-7(12,13)5-21(6-3-1-2-4-6)10(19,20)8(14,15)9(16,17)18/h3H,1-2,4-5H2
InChIKeyRFPKUSDZXHOBPI-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.71
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)cyclopenten-1-amine?
The IUPAC name of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine (CID 162455183) is N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine.
What is the SMILES notation for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine?
The canonical SMILES for N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine is FC(F)(F)CN(C1=CCCC1)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)cyclopenten-1-amine?
The InChIKey is RFPKUSDZXHOBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10N/c11-7(12,13)5-21(6-3-1-2-4-6)10(19,20)8(14,15)9(16,17)18/h3H,1-2,4-5H2.
What are the key properties of N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine?
N-(1,1,2,2,3,3,3-heptafluoropropyl)-N-(2,2,2-trifluoroethyl)cyclopenten-1-amine has a molecular weight of 333.17 g/mol, XLogP of 4.71, 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)cyclopenten-1-amine is sourced from PubChem (CID 162455183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).