4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol

C11H10FNOS — CID 171198764

IUPAC4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
SMILESN[C@H](c1ccsc1)c1ccc(O)c(F)c1
InChIInChI=1S/C11H10FNOS/c12-9-5-7(1-2-10(9)14)11(13)8-3-4-15-6-8/h1-6,11,14H,13H2/t11-/m0/s1
InChIKeyBJYZYVHNQYOVMI-NSHDSACASA-N
MW223.27 g/mol
LogP2.64
Rot. Bonds2

About 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol

4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol (PubChem CID 171198764) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
PubChem CID171198764
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
SMILESN[C@H](c1ccsc1)c1ccc(O)c(F)c1
InChIInChI=1S/C11H10FNOS/c12-9-5-7(1-2-10(9)14)11(13)8-3-4-15-6-8/h1-6,11,14H,13H2/t11-/m0/s1
InChIKeyBJYZYVHNQYOVMI-NSHDSACASA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol?
The IUPAC name of 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol (CID 171198764) is 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol is N[C@H](c1ccsc1)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol?
The InChIKey is BJYZYVHNQYOVMI-NSHDSACASA-N. The full InChI is InChI=1S/C11H10FNOS/c12-9-5-7(1-2-10(9)14)11(13)8-3-4-15-6-8/h1-6,11,14H,13H2/t11-/m0/s1.
What are the key properties of 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol?
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol has a molecular weight of 223.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol is sourced from PubChem (CID 171198764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).