4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine

C9H17F4NO — CID 103392459

IUPAC4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine
SMILESCOCC(F)(CCCN)CCC(F)(F)F
InChIInChI=1S/C9H17F4NO/c1-15-7-8(10,3-2-6-14)4-5-9(11,12)13/h2-7,14H2,1H3
InChIKeyAUUPGPNLJVUHEZ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.42
Rot. Bonds7

About 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine

4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine (PubChem CID 103392459) has the molecular formula C9H17F4NO and a molecular weight of 231.23 g/mol. Its IUPAC name is 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine.

Molecular Properties

Compound Name4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine
PubChem CID103392459
Molecular FormulaC9H17F4NO
Molecular Weight231.23 g/mol
Exact Mass231.12
IUPAC Name4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine
SMILESCOCC(F)(CCCN)CCC(F)(F)F
InChIInChI=1S/C9H17F4NO/c1-15-7-8(10,3-2-6-14)4-5-9(11,12)13/h2-7,14H2,1H3
InChIKeyAUUPGPNLJVUHEZ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine?
The IUPAC name of 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine (CID 103392459) is 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine.
What is the SMILES notation for 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine?
The canonical SMILES for 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine is COCC(F)(CCCN)CCC(F)(F)F.
What is the InChIKey of 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine?
The InChIKey is AUUPGPNLJVUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO/c1-15-7-8(10,3-2-6-14)4-5-9(11,12)13/h2-7,14H2,1H3.
What are the key properties of 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine?
4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine has a molecular weight of 231.23 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7,7-tetrafluoro-4-(methoxymethyl)heptan-1-amine is sourced from PubChem (CID 103392459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).