N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine

C12H22F3NO — CID 104611164

IUPACN-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C12H22F3NO/c1-3-16-10(6-9-12(13,14)15)11(17-2)7-4-5-8-11/h10,16H,3-9H2,1-2H3
InChIKeyUDXOHGGDMABGSR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine (PubChem CID 104611164) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine
PubChem CID104611164
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C12H22F3NO/c1-3-16-10(6-9-12(13,14)15)11(17-2)7-4-5-8-11/h10,16H,3-9H2,1-2H3
InChIKeyUDXOHGGDMABGSR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
CID 62110920
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62111091
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254
1-cyclopentyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827468
1-cyclopentyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803022
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66275087
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
CID 66275300

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine (CID 104611164) is N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine is CCNC(CCC(F)(F)F)C1(OC)CCCC1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine?
The InChIKey is UDXOHGGDMABGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-16-10(6-9-12(13,14)15)11(17-2)7-4-5-8-11/h10,16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-amine is sourced from PubChem (CID 104611164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).