1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine

C10H19F3N2O — CID 62986697

IUPAC1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine
SMILESCCC(N)C(N1CCCOCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-8(14)9(10(11,12)13)15-4-3-6-16-7-5-15/h8-9H,2-7,14H2,1H3
InChIKeyYDXMINMMVGRWCP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds3

About 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine

1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine (PubChem CID 62986697) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine
PubChem CID62986697
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine
SMILESCCC(N)C(N1CCCOCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-8(14)9(10(11,12)13)15-4-3-6-16-7-5-15/h8-9H,2-7,14H2,1H3
InChIKeyYDXMINMMVGRWCP-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine (CID 62986697) is 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine is CCC(N)C(N1CCCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine?
The InChIKey is YDXMINMMVGRWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-8(14)9(10(11,12)13)15-4-3-6-16-7-5-15/h8-9H,2-7,14H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine?
1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,4-oxazepan-4-yl)pentan-3-amine is sourced from PubChem (CID 62986697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).