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

C12H22F3NO — CID 66275941

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OC(C)C(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-9(2)16-8-11(6-4-5-7-11)17-10(3)12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyYOXRTMLIRCWNCH-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds5

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

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine (PubChem CID 66275941) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
PubChem CID66275941
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OC(C)C(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-9(2)16-8-11(6-4-5-7-11)17-10(3)12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyYOXRTMLIRCWNCH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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]propan-2-amine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine (CID 66275941) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(OC(C)C(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
The InChIKey is YOXRTMLIRCWNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)16-8-11(6-4-5-7-11)17-10(3)12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 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]propan-2-amine is sourced from PubChem (CID 66275941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).