3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine

C10H19F4NO — CID 45283059

IUPAC3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine
SMILESCCCC(N)C(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-3-5-7(15)8(4-2)16-6-10(13,14)9(11)12/h7-9H,3-6,15H2,1-2H3
InChIKeyNVRYZELOWCKTDQ-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.81
Rot. Bonds8

About 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine

3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine (PubChem CID 45283059) has the molecular formula C10H19F4NO and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine
PubChem CID45283059
Molecular FormulaC10H19F4NO
Molecular Weight245.26 g/mol
Exact Mass245.14
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine
SMILESCCCC(N)C(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-3-5-7(15)8(4-2)16-6-10(13,14)9(11)12/h7-9H,3-6,15H2,1-2H3
InChIKeyNVRYZELOWCKTDQ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.81
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 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine (CID 45283059) is 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine is CCCC(N)C(CC)OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine?
The InChIKey is NVRYZELOWCKTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO/c1-3-5-7(15)8(4-2)16-6-10(13,14)9(11)12/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine?
3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine has a molecular weight of 245.26 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)heptan-4-amine is sourced from PubChem (CID 45283059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).