methyl 3-(cyclopentylamino)-2,2-difluoropropanoate

C9H15F2NO2 — CID 67117821

IUPACmethyl 3-(cyclopentylamino)-2,2-difluoropropanoate
SMILESCOC(=O)C(F)(F)CNC1CCCC1
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-12-7-4-2-3-5-7/h7,12H,2-6H2,1H3
InChIKeyMYFWDUKMMOJRSB-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.33
Rot. Bonds4

About methyl 3-(cyclopentylamino)-2,2-difluoropropanoate

methyl 3-(cyclopentylamino)-2,2-difluoropropanoate (PubChem CID 67117821) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is methyl 3-(cyclopentylamino)-2,2-difluoropropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylamino)-2,2-difluoropropanoate
PubChem CID67117821
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namemethyl 3-(cyclopentylamino)-2,2-difluoropropanoate
SMILESCOC(=O)C(F)(F)CNC1CCCC1
InChIInChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-12-7-4-2-3-5-7/h7,12H,2-6H2,1H3
InChIKeyMYFWDUKMMOJRSB-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylamino)-2,2-difluoropropanoate?
The IUPAC name of methyl 3-(cyclopentylamino)-2,2-difluoropropanoate (CID 67117821) is methyl 3-(cyclopentylamino)-2,2-difluoropropanoate.
What is the SMILES notation for methyl 3-(cyclopentylamino)-2,2-difluoropropanoate?
The canonical SMILES for methyl 3-(cyclopentylamino)-2,2-difluoropropanoate is COC(=O)C(F)(F)CNC1CCCC1.
What is the InChIKey of methyl 3-(cyclopentylamino)-2,2-difluoropropanoate?
The InChIKey is MYFWDUKMMOJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-14-8(13)9(10,11)6-12-7-4-2-3-5-7/h7,12H,2-6H2,1H3.
What are the key properties of methyl 3-(cyclopentylamino)-2,2-difluoropropanoate?
methyl 3-(cyclopentylamino)-2,2-difluoropropanoate has a molecular weight of 207.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylamino)-2,2-difluoropropanoate is sourced from PubChem (CID 67117821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).