methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate

C14H24F3NO3 — CID 79587234

IUPACmethyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCOC(C)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-4-18-13(12(19)20-3)8-5-6-11(13)7-9-21-10(2)14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyPJMGYPOGRBDJTM-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.67
Rot. Bonds7

About methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate

methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79587234) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79587234
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Namemethyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCOC(C)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-4-18-13(12(19)20-3)8-5-6-11(13)7-9-21-10(2)14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyPJMGYPOGRBDJTM-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

trans-methyl (1R,2R)-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclopentane-1-carboxylate
CID 24796928
Ethyl 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetate
CID 55035238
Ethyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
CID 65044622
Methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxylate
CID 65045401
Ethyl 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565720
1-(Methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581399
1-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581472
1-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581545
1-(Cyclopropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581546
Methyl 1-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581622
Methyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581623
Ethyl 1-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581859

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate (CID 79587234) is methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCCC1CCOC(C)C(F)(F)F.
What is the InChIKey of methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is PJMGYPOGRBDJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-4-18-13(12(19)20-3)8-5-6-11(13)7-9-21-10(2)14(15,16)17/h10-11,18H,4-9H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79587234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).