N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine

C12H22F3NO — CID 106706002

IUPACN-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2)16-7-11(5-3-4-6-11)8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyVSNWLDWUKKBOOJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 106706002) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID106706002
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2)16-7-11(5-3-4-6-11)8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyVSNWLDWUKKBOOJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine (CID 106706002) is N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(COCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is VSNWLDWUKKBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)16-7-11(5-3-4-6-11)8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 106706002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).