N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine

C12H20F3NO — CID 66275519

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9(12(13,14)15)17-11(6-2-3-7-11)8-16-10-4-5-10/h9-10,16H,2-8H2,1H3
InChIKeyUZAJHXIQYLBZHH-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds5

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine (PubChem CID 66275519) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine
PubChem CID66275519
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9(12(13,14)15)17-11(6-2-3-7-11)8-16-10-4-5-10/h9-10,16H,2-8H2,1H3
InChIKeyUZAJHXIQYLBZHH-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine (CID 66275519) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine is CC(OC1(CNC2CC2)CCCC1)C(F)(F)F.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is UZAJHXIQYLBZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-9(12(13,14)15)17-11(6-2-3-7-11)8-16-10-4-5-10/h9-10,16H,2-8H2,1H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 251.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 66275519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).