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

C11H11ClFNOS — CID 171199193

IUPAC4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1ccc(O)cc1F
InChIInChI=1S/C11H10FNOS.ClH/c12-10-5-8(14)1-2-9(10)11(13)7-3-4-15-6-7;/h1-6,11,14H,13H2;1H/t11-;/m1./s1
InChIKeyXCUGBYZAKDRCLQ-RFVHGSKJSA-N
MW259.73 g/mol
LogP3.06
Rot. Bonds2

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

4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride (PubChem CID 171199193) has the molecular formula C11H11ClFNOS and a molecular weight of 259.73 g/mol. Its IUPAC name is 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
PubChem CID171199193
Molecular FormulaC11H11ClFNOS
Molecular Weight259.73 g/mol
Exact Mass259.02
IUPAC Name4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1ccc(O)cc1F
InChIInChI=1S/C11H10FNOS.ClH/c12-10-5-8(14)1-2-9(10)11(13)7-3-4-15-6-7;/h1-6,11,14H,13H2;1H/t11-;/m1./s1
InChIKeyXCUGBYZAKDRCLQ-RFVHGSKJSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol
CID 171224998
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride?
The IUPAC name of 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride (CID 171199193) is 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride is Cl.N[C@H](c1ccsc1)c1ccc(O)cc1F.
What is the InChIKey of 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride?
The InChIKey is XCUGBYZAKDRCLQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H10FNOS.ClH/c12-10-5-8(14)1-2-9(10)11(13)7-3-4-15-6-7;/h1-6,11,14H,13H2;1H/t11-;/m1./s1.
What are the key properties of 4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride?
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride has a molecular weight of 259.73 g/mol, XLogP of 3.06, 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]-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171199193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).