ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate

C14H24F3NO3 — CID 79644712

IUPACethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO3/c1-4-8-18-13(12(19)20-5-2)7-6-11(9-13)21-10(3)14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyPKAOHGIQPWBDDW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.81
Rot. Bonds7

About ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate

ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate (PubChem CID 79644712) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
PubChem CID79644712
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Nameethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO3/c1-4-8-18-13(12(19)20-5-2)7-6-11(9-13)21-10(3)14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyPKAOHGIQPWBDDW-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
ethyl 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755728
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 107756248
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
ethyl 1-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)cyclopentane-1-carboxylate
CID 103489908
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
ethyl 3-(oxan-4-ylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646481

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate (CID 79644712) is ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate is CCCNC1(C(=O)OCC)CCC(OC(C)C(F)(F)F)C1.
What is the InChIKey of ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate?
The InChIKey is PKAOHGIQPWBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-4-8-18-13(12(19)20-5-2)7-6-11(9-13)21-10(3)14(15,16)17/h10-11,18H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate?
ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79644712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).