5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine

C12H22F3NO — CID 113327167

IUPAC5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)C1(C)CCCCO1
InChIInChI=1S/C12H22F3NO/c1-11(7-3-4-9-17-11)10(16-2)6-5-8-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeySISNNRMJFCNXCB-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine (PubChem CID 113327167) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
PubChem CID113327167
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)C1(C)CCCCO1
InChIInChI=1S/C12H22F3NO/c1-11(7-3-4-9-17-11)10(16-2)6-5-8-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeySISNNRMJFCNXCB-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine (CID 113327167) is 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine is CNC(CCCC(F)(F)F)C1(C)CCCCO1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The InChIKey is SISNNRMJFCNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(7-3-4-9-17-11)10(16-2)6-5-8-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(2-methyloxan-2-yl)pentan-1-amine is sourced from PubChem (CID 113327167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).