methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate

C12H20F3NO2 — CID 113330874

IUPACmethyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
SMILESCOC(=O)CN(CCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO2/c1-18-11(17)9-16(10-5-2-3-6-10)8-4-7-12(13,14)15/h10H,2-9H2,1H3
InChIKeyRESXDNRSKNZKGW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.75
Rot. Bonds6

About methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate

methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate (PubChem CID 113330874) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
PubChem CID113330874
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Namemethyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
SMILESCOC(=O)CN(CCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO2/c1-18-11(17)9-16(10-5-2-3-6-10)8-4-7-12(13,14)15/h10H,2-9H2,1H3
InChIKeyRESXDNRSKNZKGW-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103768668
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N-(2-chloroethyl)-N-(4,4,4-trifluorobutyl)cyclohexanamine
CID 115518352
methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 71969028
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
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methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate (CID 113330874) is methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate is COC(=O)CN(CCCC(F)(F)F)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate?
The InChIKey is RESXDNRSKNZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-18-11(17)9-16(10-5-2-3-6-10)8-4-7-12(13,14)15/h10H,2-9H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate?
methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate has a molecular weight of 267.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate is sourced from PubChem (CID 113330874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).