1-cyclopentyl-3-(2,2-difluoroethyl)thiourea

C8H14F2N2S — CID 116509660

IUPAC1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
SMILESFC(F)CNC(=S)NC1CCCC1
InChIInChI=1S/C8H14F2N2S/c9-7(10)5-11-8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyBQZAPULAVXNAQI-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.66
Rot. Bonds3

About 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea

1-cyclopentyl-3-(2,2-difluoroethyl)thiourea (PubChem CID 116509660) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
PubChem CID116509660
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
SMILESFC(F)CNC(=S)NC1CCCC1
InChIInChI=1S/C8H14F2N2S/c9-7(10)5-11-8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyBQZAPULAVXNAQI-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.66
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

1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
CID 115662423
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclopentyl-3-(2,2-difluoropropyl)thiourea
CID 164654773
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
1-cyclooctyl-3-propylthiourea
CID 19650537
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-cyclopentyl-3-[2-(trifluoromethylsulfanyl)ethyl]thiourea
CID 106427137
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea (CID 116509660) is 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea is FC(F)CNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea?
The InChIKey is BQZAPULAVXNAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2S/c9-7(10)5-11-8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea?
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea has a molecular weight of 208.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2-difluoroethyl)thiourea is sourced from PubChem (CID 116509660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).