1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one

C10H17F3N2O — CID 43752807

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one
SMILESNCC(N1CCCCCCC1=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)8(7-14)15-6-4-2-1-3-5-9(15)16/h8H,1-7,14H2
InChIKeyVEYVNGFSNOGBDN-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.67
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one (PubChem CID 43752807) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one
PubChem CID43752807
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one
SMILESNCC(N1CCCCCCC1=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)8(7-14)15-6-4-2-1-3-5-9(15)16/h8H,1-7,14H2
InChIKeyVEYVNGFSNOGBDN-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one (CID 43752807) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one is NCC(N1CCCCCCC1=O)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one?
The InChIKey is VEYVNGFSNOGBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)8(7-14)15-6-4-2-1-3-5-9(15)16/h8H,1-7,14H2.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one has a molecular weight of 238.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)azocan-2-one is sourced from PubChem (CID 43752807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).