2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine

C10H17F4NO — CID 45283087

IUPAC2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-8-5-3-1-2-4-7(8)15/h7-9H,1-6,15H2
InChIKeyFNQKJHGLEDXKQF-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.56
Rot. Bonds4

About 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine

2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine (PubChem CID 45283087) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine
PubChem CID45283087
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-8-5-3-1-2-4-7(8)15/h7-9H,1-6,15H2
InChIKeyFNQKJHGLEDXKQF-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine (CID 45283087) is 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine is NC1CCCCCC1OCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine?
The InChIKey is FNQKJHGLEDXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-8-5-3-1-2-4-7(8)15/h7-9H,1-6,15H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine?
2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine has a molecular weight of 243.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)cycloheptan-1-amine is sourced from PubChem (CID 45283087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).