4-cyclobutyloxy-3-fluorobenzenecarbothioamide

C11H12FNOS — CID 62142563

IUPAC4-cyclobutyloxy-3-fluorobenzenecarbothioamide
SMILESNC(=S)c1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C11H12FNOS/c12-9-6-7(11(13)15)4-5-10(9)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,15)
InChIKeyTZNNALGCFUFLAS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.39
Rot. Bonds3

About 4-cyclobutyloxy-3-fluorobenzenecarbothioamide

4-cyclobutyloxy-3-fluorobenzenecarbothioamide (PubChem CID 62142563) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-cyclobutyloxy-3-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name4-cyclobutyloxy-3-fluorobenzenecarbothioamide
PubChem CID62142563
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name4-cyclobutyloxy-3-fluorobenzenecarbothioamide
SMILESNC(=S)c1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C11H12FNOS/c12-9-6-7(11(13)15)4-5-10(9)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,15)
InChIKeyTZNNALGCFUFLAS-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyloxy-3,5-difluorobenzenecarbothioamide
CID 81286677
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
3-cycloheptyloxy-4-methylbenzenecarbothioamide
CID 107656527
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
4-cyclohexyloxy-3-fluoroaniline
CID 19627258
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
3-fluoro-4-(2-fluorophenoxy)benzenecarbothioamide
CID 43658041
4-(oxan-3-yloxy)-3-(trifluoromethyl)benzenecarbothioamide
CID 107134719
2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)benzenecarbothioamide
CID 66277832
2-bromo-4-cyclobutyloxy-3-fluorobenzenecarbothioamide
CID 107535656

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-3-fluorobenzenecarbothioamide?
The IUPAC name of 4-cyclobutyloxy-3-fluorobenzenecarbothioamide (CID 62142563) is 4-cyclobutyloxy-3-fluorobenzenecarbothioamide.
What is the SMILES notation for 4-cyclobutyloxy-3-fluorobenzenecarbothioamide?
The canonical SMILES for 4-cyclobutyloxy-3-fluorobenzenecarbothioamide is NC(=S)c1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of 4-cyclobutyloxy-3-fluorobenzenecarbothioamide?
The InChIKey is TZNNALGCFUFLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-9-6-7(11(13)15)4-5-10(9)14-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,15).
What are the key properties of 4-cyclobutyloxy-3-fluorobenzenecarbothioamide?
4-cyclobutyloxy-3-fluorobenzenecarbothioamide has a molecular weight of 225.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-3-fluorobenzenecarbothioamide is sourced from PubChem (CID 62142563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).