1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea

C19H18F4N2S — CID 100767019

IUPAC1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
SMILESFc1ccccc1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C19H18F4N2S/c20-15-8-1-2-9-16(15)24-17(26)25-18(10-3-4-11-18)13-6-5-7-14(12-13)19(21,22)23/h1-2,5-9,12H,3-4,10-11H2,(H2,24,25,26)
InChIKeyZHPIDXJWBSHMHE-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.60
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea

1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea (PubChem CID 100767019) has the molecular formula C19H18F4N2S and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
PubChem CID100767019
Molecular FormulaC19H18F4N2S
Molecular Weight382.43 g/mol
Exact Mass382.11
IUPAC Name1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
SMILESFc1ccccc1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C19H18F4N2S/c20-15-8-1-2-9-16(15)24-17(26)25-18(10-3-4-11-18)13-6-5-7-14(12-13)19(21,22)23/h1-2,5-9,12H,3-4,10-11H2,(H2,24,25,26)
InChIKeyZHPIDXJWBSHMHE-UHFFFAOYSA-N
XLogP5.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.60
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-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766996
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675
1-(3-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100768081
1-(3-methyl-2-pyridinyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100771973
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 166663654
N-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]morpholine-2-carboxamide
CID 119806260

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea (CID 100767019) is 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea is Fc1ccccc1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea?
The InChIKey is ZHPIDXJWBSHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2S/c20-15-8-1-2-9-16(15)24-17(26)25-18(10-3-4-11-18)13-6-5-7-14(12-13)19(21,22)23/h1-2,5-9,12H,3-4,10-11H2,(H2,24,25,26).
What are the key properties of 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea?
1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea has a molecular weight of 382.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea is sourced from PubChem (CID 100767019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).