N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine

C11H19F4NO — CID 55077605

IUPACN-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)OCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c1-8(3-2-6-16-9-4-5-9)17-7-11(14,15)10(12)13/h8-10,16H,2-7H2,1H3
InChIKeyQPSUZHFFYUPHIS-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.82
Rot. Bonds9

About N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine

N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine (PubChem CID 55077605) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine
PubChem CID55077605
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC NameN-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)OCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c1-8(3-2-6-16-9-4-5-9)17-7-11(14,15)10(12)13/h8-10,16H,2-7H2,1H3
InChIKeyQPSUZHFFYUPHIS-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine (CID 55077605) is N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine is CC(CCCNC1CC1)OCC(F)(F)C(F)F.
What is the InChIKey of N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine?
The InChIKey is QPSUZHFFYUPHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-8(3-2-6-16-9-4-5-9)17-7-11(14,15)10(12)13/h8-10,16H,2-7H2,1H3.
What are the key properties of N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine?
N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine has a molecular weight of 257.27 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,3,3-tetrafluoropropoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 55077605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).