2-fluoro-5-(hydroxysulfanylmethyl)aniline

C7H8FNOS — CID 118350509

IUPAC2-fluoro-5-(hydroxysulfanylmethyl)aniline
SMILESNc1cc(CSO)ccc1F
InChIInChI=1S/C7H8FNOS/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,10H,4,9H2
InChIKeyMDJPJPVLSRQDDH-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.11
Rot. Bonds2

About 2-fluoro-5-(hydroxysulfanylmethyl)aniline

2-fluoro-5-(hydroxysulfanylmethyl)aniline (PubChem CID 118350509) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-fluoro-5-(hydroxysulfanylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(hydroxysulfanylmethyl)aniline
PubChem CID118350509
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name2-fluoro-5-(hydroxysulfanylmethyl)aniline
SMILESNc1cc(CSO)ccc1F
InChIInChI=1S/C7H8FNOS/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,10H,4,9H2
InChIKeyMDJPJPVLSRQDDH-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-fluoroaniline
CID 10630567
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
N-[(3-amino-4-fluorophenyl)methyl]acetamide
CID 89277317
2-amino-4-[(4-chlorophenyl)methylsulfanylmethyl]phenol
CID 114790369
5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
(2R)-2-[(3-amino-4-fluorophenyl)methyl]-2-methylbutanoic acid
CID 67215910
methyl (2S)-2-amino-3-(3-amino-4-fluorophenyl)propanoate
CID 171238427
2-fluoro-5-(1,3-oxazol-5-ylmethyl)aniline
CID 82647342
2-amino-4-[(4-fluorophenyl)sulfanylmethyl]phenol
CID 43377097
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluoroaniline
CID 117221486
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(hydroxysulfanylmethyl)aniline?
The IUPAC name of 2-fluoro-5-(hydroxysulfanylmethyl)aniline (CID 118350509) is 2-fluoro-5-(hydroxysulfanylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-(hydroxysulfanylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-(hydroxysulfanylmethyl)aniline is Nc1cc(CSO)ccc1F.
What is the InChIKey of 2-fluoro-5-(hydroxysulfanylmethyl)aniline?
The InChIKey is MDJPJPVLSRQDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,10H,4,9H2.
What are the key properties of 2-fluoro-5-(hydroxysulfanylmethyl)aniline?
2-fluoro-5-(hydroxysulfanylmethyl)aniline has a molecular weight of 173.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(hydroxysulfanylmethyl)aniline is sourced from PubChem (CID 118350509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).