3-(fluoromethyl)-N-octan-4-yloxetan-3-amine

C12H24FNO — CID 170061961

IUPAC3-(fluoromethyl)-N-octan-4-yloxetan-3-amine
SMILESCCCCC(CCC)NC1(CF)COC1
InChIInChI=1S/C12H24FNO/c1-3-5-7-11(6-4-2)14-12(8-13)9-15-10-12/h11,14H,3-10H2,1-2H3
InChIKeyPFCXQMJAJAKAAJ-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.67
Rot. Bonds8

About 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine

3-(fluoromethyl)-N-octan-4-yloxetan-3-amine (PubChem CID 170061961) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-N-octan-4-yloxetan-3-amine
PubChem CID170061961
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name3-(fluoromethyl)-N-octan-4-yloxetan-3-amine
SMILESCCCCC(CCC)NC1(CF)COC1
InChIInChI=1S/C12H24FNO/c1-3-5-7-11(6-4-2)14-12(8-13)9-15-10-12/h11,14H,3-10H2,1-2H3
InChIKeyPFCXQMJAJAKAAJ-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine?
The IUPAC name of 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine (CID 170061961) is 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine?
The canonical SMILES for 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine is CCCCC(CCC)NC1(CF)COC1.
What is the InChIKey of 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine?
The InChIKey is PFCXQMJAJAKAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-3-5-7-11(6-4-2)14-12(8-13)9-15-10-12/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine?
3-(fluoromethyl)-N-octan-4-yloxetan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-octan-4-yloxetan-3-amine is sourced from PubChem (CID 170061961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).