methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate

C14H25F2NO3 — CID 82006966

IUPACmethyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCCC1CCOCC(F)F
InChIInChI=1S/C14H25F2NO3/c1-3-8-17-14(13(18)19-2)7-4-5-11(14)6-9-20-10-12(15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyAPYQDYCLISNKOA-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.37
Rot. Bonds9

About methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate

methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 82006966) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID82006966
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Namemethyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCCC1CCOCC(F)F
InChIInChI=1S/C14H25F2NO3/c1-3-8-17-14(13(18)19-2)7-4-5-11(14)6-9-20-10-12(15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyAPYQDYCLISNKOA-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(2-methoxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 79586956
methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
CID 103284971
2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79581463
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
CID 102984407
methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79586684
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate (CID 82006966) is methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OC)CCCC1CCOCC(F)F.
What is the InChIKey of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is APYQDYCLISNKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3/c1-3-8-17-14(13(18)19-2)7-4-5-11(14)6-9-20-10-12(15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate?
methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 82006966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).