1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea

C7H10F4N2S — CID 103520303

IUPAC1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
SMILESFC(F)C(F)(F)CNC(=S)NC1CC1
InChIInChI=1S/C7H10F4N2S/c8-5(9)7(10,11)3-12-6(14)13-4-1-2-4/h4-5H,1-3H2,(H2,12,13,14)
InChIKeyQNQLSFNFAQPUSL-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.51
Rot. Bonds4

About 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea

1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea (PubChem CID 103520303) has the molecular formula C7H10F4N2S and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
PubChem CID103520303
Molecular FormulaC7H10F4N2S
Molecular Weight230.23 g/mol
Exact Mass230.05
IUPAC Name1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
SMILESFC(F)C(F)(F)CNC(=S)NC1CC1
InChIInChI=1S/C7H10F4N2S/c8-5(9)7(10,11)3-12-6(14)13-4-1-2-4/h4-5H,1-3H2,(H2,12,13,14)
InChIKeyQNQLSFNFAQPUSL-UHFFFAOYSA-N
XLogP1.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520304
1-cyclopentyl-3-(2,2-difluoropropyl)thiourea
CID 164654773
1-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520307
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
CID 116509660
1-butyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520301
1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
CID 86811847
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296453
3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 106291669
1-cyclopentyl-3-[2-(trifluoromethylsulfanyl)ethyl]thiourea
CID 106427137
3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine
CID 106289857
N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291923
1-cyclopropyl-3-pentylthiourea
CID 19650722

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea (CID 103520303) is 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea is FC(F)C(F)(F)CNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
The InChIKey is QNQLSFNFAQPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2S/c8-5(9)7(10,11)3-12-6(14)13-4-1-2-4/h4-5H,1-3H2,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea has a molecular weight of 230.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropyl)thiourea is sourced from PubChem (CID 103520303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).