ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate

C14H17ClFNO2 — CID 54894456

IUPACethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-2-19-14(18)13(17-8-9-6-7-9)12-10(15)4-3-5-11(12)16/h3-5,9,13,17H,2,6-8H2,1H3
InChIKeyBCUKNRJSFXGPNK-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate

ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate (PubChem CID 54894456) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
PubChem CID54894456
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Nameethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-2-19-14(18)13(17-8-9-6-7-9)12-10(15)4-3-5-11(12)16/h3-5,9,13,17H,2,6-8H2,1H3
InChIKeyBCUKNRJSFXGPNK-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553
ethyl 2-[[(2-chloro-6-fluorophenyl)-cyanomethyl]amino]acetate
CID 112500791
ethyl 3-(2-chloro-6-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397211
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
ethyl 4-(2-chloro-6-fluorophenyl)-2-ethyl-3-oxobutanoate
CID 63022493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate?
The IUPAC name of ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate (CID 54894456) is ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate is CCOC(=O)C(NCC1CC1)c1c(F)cccc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate?
The InChIKey is BCUKNRJSFXGPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-2-19-14(18)13(17-8-9-6-7-9)12-10(15)4-3-5-11(12)16/h3-5,9,13,17H,2,6-8H2,1H3.
What are the key properties of ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate?
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate has a molecular weight of 285.75 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate is sourced from PubChem (CID 54894456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).