(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol

C11H14FNOS — CID 105484688

IUPAC(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
SMILESNc1c(F)cccc1C(O)C1CCSC1
InChIInChI=1S/C11H14FNOS/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-3,7,11,14H,4-6,13H2
InChIKeyCSOJBRUECWCRFN-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.19
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol

(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol (PubChem CID 105484688) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
PubChem CID105484688
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
SMILESNc1c(F)cccc1C(O)C1CCSC1
InChIInChI=1S/C11H14FNOS/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-3,7,11,14H,4-6,13H2
InChIKeyCSOJBRUECWCRFN-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
CID 105482980
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
isoquinolin-5-yl(thiolan-3-yl)methanol
CID 105094590
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
[3-(2-aminoethyl)phenyl]-(thiolan-3-yl)methanol
CID 115042240
(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
CID 131186478
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
CID 105103601
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
(2-amino-5-methylphenyl)-(thian-3-yl)methanol
CID 105499567
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol?
The IUPAC name of (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol (CID 105484688) is (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol?
The canonical SMILES for (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol is Nc1c(F)cccc1C(O)C1CCSC1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol?
The InChIKey is CSOJBRUECWCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7/h1-3,7,11,14H,4-6,13H2.
What are the key properties of (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol?
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol has a molecular weight of 227.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 105484688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).