[2-(difluoromethyl)-3-fluorophenyl]thiourea

C8H7F3N2S — CID 169359532

IUPAC[2-(difluoromethyl)-3-fluorophenyl]thiourea
SMILESNC(=S)Nc1cccc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2S/c9-4-2-1-3-5(13-8(12)14)6(4)7(10)11/h1-3,7H,(H3,12,13,14)
InChIKeyDIZANWYMBYEREA-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.42
Rot. Bonds2

About [2-(difluoromethyl)-3-fluorophenyl]thiourea

[2-(difluoromethyl)-3-fluorophenyl]thiourea (PubChem CID 169359532) has the molecular formula C8H7F3N2S and a molecular weight of 220.22 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-fluorophenyl]thiourea.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-fluorophenyl]thiourea
PubChem CID169359532
Molecular FormulaC8H7F3N2S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name[2-(difluoromethyl)-3-fluorophenyl]thiourea
SMILESNC(=S)Nc1cccc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2S/c9-4-2-1-3-5(13-8(12)14)6(4)7(10)11/h1-3,7H,(H3,12,13,14)
InChIKeyDIZANWYMBYEREA-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-2-iodophenyl)thiourea
CID 130498613
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
(2-ethoxy-3-fluorophenyl)thiourea
CID 169358055
[3-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]thiourea
CID 169359391
(2-fluoro-6-sulfamoylphenyl)thiourea
CID 169359323
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964
[3-(difluoromethyl)phenyl]thiourea
CID 118556287
2-fluoro-6-(2,3,5,6-tetrafluoroanilino)benzenecarbothioamide
CID 107644915
[2-(methylamino)phenyl]thiourea
CID 91755766
(2,6-difluorophenyl)methylthiourea;hydrobromide
CID 173140070

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-fluorophenyl]thiourea?
The IUPAC name of [2-(difluoromethyl)-3-fluorophenyl]thiourea (CID 169359532) is [2-(difluoromethyl)-3-fluorophenyl]thiourea.
What is the SMILES notation for [2-(difluoromethyl)-3-fluorophenyl]thiourea?
The canonical SMILES for [2-(difluoromethyl)-3-fluorophenyl]thiourea is NC(=S)Nc1cccc(F)c1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-3-fluorophenyl]thiourea?
The InChIKey is DIZANWYMBYEREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2S/c9-4-2-1-3-5(13-8(12)14)6(4)7(10)11/h1-3,7H,(H3,12,13,14).
What are the key properties of [2-(difluoromethyl)-3-fluorophenyl]thiourea?
[2-(difluoromethyl)-3-fluorophenyl]thiourea has a molecular weight of 220.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-fluorophenyl]thiourea is sourced from PubChem (CID 169359532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).