4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine

C11H20F3NO — CID 104610894

IUPAC4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C11H20F3NO/c1-15-9(5-8-11(12,13)14)10(16-2)6-3-4-7-10/h9,15H,3-8H2,1-2H3
InChIKeyKHRDLCGMOHPLAP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds5

About 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine

4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine (PubChem CID 104610894) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine
PubChem CID104610894
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C11H20F3NO/c1-15-9(5-8-11(12,13)14)10(16-2)6-3-4-7-10/h9,15H,3-8H2,1-2H3
InChIKeyKHRDLCGMOHPLAP-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(trifluoromethoxy)ethyl]ethanamine
CID 65803022
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
CID 66275300
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine
CID 66275519
N-methyl-1-[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methanamine
CID 66275520
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
CID 66275941

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine (CID 104610894) is 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine is CNC(CCC(F)(F)F)C1(OC)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine?
The InChIKey is KHRDLCGMOHPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-9(5-8-11(12,13)14)10(16-2)6-3-4-7-10/h9,15H,3-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine?
4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-methylbutan-1-amine is sourced from PubChem (CID 104610894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).