7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine

C12H23F3N2O — CID 113327114

IUPAC7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine
SMILESCC(C)(C(N)CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H23F3N2O/c1-11(2,17-6-8-18-9-7-17)10(16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyTUIILCPIDGUHKY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds5

About 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine

7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine (PubChem CID 113327114) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine
PubChem CID113327114
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine
SMILESCC(C)(C(N)CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H23F3N2O/c1-11(2,17-6-8-18-9-7-17)10(16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyTUIILCPIDGUHKY-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine (CID 113327114) is 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine is CC(C)(C(N)CCCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine?
The InChIKey is TUIILCPIDGUHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(2,17-6-8-18-9-7-17)10(16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine?
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine is sourced from PubChem (CID 113327114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).