2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid

C14H13F2NO2S — CID 82894885

IUPAC2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2cc(F)ccc2F)s1
InChIInChI=1S/C14H13F2NO2S/c15-10-1-4-13(16)9(5-10)7-17-8-12-3-2-11(20-12)6-14(18)19/h1-5,17H,6-8H2,(H,18,19)
InChIKeyBFIXNVZNUZSEAB-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.94
Rot. Bonds6

About 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82894885) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
PubChem CID82894885
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2cc(F)ccc2F)s1
InChIInChI=1S/C14H13F2NO2S/c15-10-1-4-13(16)9(5-10)7-17-8-12-3-2-11(20-12)6-14(18)19/h1-5,17H,6-8H2,(H,18,19)
InChIKeyBFIXNVZNUZSEAB-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 60957947
2-[5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82886720
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82894113
2-[5-[(3,3,3-trifluoropropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894882
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995
2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid (CID 82894885) is 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(CNCc2cc(F)ccc2F)s1.
What is the InChIKey of 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is BFIXNVZNUZSEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c15-10-1-4-13(16)9(5-10)7-17-8-12-3-2-11(20-12)6-14(18)19/h1-5,17H,6-8H2,(H,18,19).
What are the key properties of 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 297.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82894885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).