[(1R)-3,3-difluorocyclopentyl]urea

C6H10F2N2O — CID 140633335

IUPAC[(1R)-3,3-difluorocyclopentyl]urea
SMILESNC(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-6)10-5(9)11/h4H,1-3H2,(H3,9,10,11)/t4-/m1/s1
InChIKeyZJYCWGKWPZDUNE-SCSAIBSYSA-N
MW164.16 g/mol
LogP0.84
Rot. Bonds1

About [(1R)-3,3-difluorocyclopentyl]urea

[(1R)-3,3-difluorocyclopentyl]urea (PubChem CID 140633335) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is [(1R)-3,3-difluorocyclopentyl]urea.

Molecular Properties

Compound Name[(1R)-3,3-difluorocyclopentyl]urea
PubChem CID140633335
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name[(1R)-3,3-difluorocyclopentyl]urea
SMILESNC(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-6)10-5(9)11/h4H,1-3H2,(H3,9,10,11)/t4-/m1/s1
InChIKeyZJYCWGKWPZDUNE-SCSAIBSYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentylurea
CID 294526
N-Cyclopentyl-N'-methylurea
CID 13428331
1-Cyclohexyl-3-(2,2,2-trifluoroethyl)urea
CID 260200
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
1-Cyclohexyl-3-(trifluoromethyl)urea
CID 53933988
4,4,4-Trifluorobutylurea
CID 79037549
4-(3,3,3-Trifluoropropyl)imidazolidin-2-one
CID 86720187
5-Fluoropentylurea
CID 88681885
(3,3-Difluorocyclopentyl)urea
CID 88975015
(3,3-Difluorocyclobutyl)urea
CID 89360103
N-(3,3-difluorocyclopentyl)formamide
CID 89704904
1-Hexan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348838

Frequently Asked Questions

What is the IUPAC name of [(1R)-3,3-difluorocyclopentyl]urea?
The IUPAC name of [(1R)-3,3-difluorocyclopentyl]urea (CID 140633335) is [(1R)-3,3-difluorocyclopentyl]urea.
What is the SMILES notation for [(1R)-3,3-difluorocyclopentyl]urea?
The canonical SMILES for [(1R)-3,3-difluorocyclopentyl]urea is NC(=O)N[C@@H]1CCC(F)(F)C1.
What is the InChIKey of [(1R)-3,3-difluorocyclopentyl]urea?
The InChIKey is ZJYCWGKWPZDUNE-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-6)10-5(9)11/h4H,1-3H2,(H3,9,10,11)/t4-/m1/s1.
What are the key properties of [(1R)-3,3-difluorocyclopentyl]urea?
[(1R)-3,3-difluorocyclopentyl]urea has a molecular weight of 164.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,3-difluorocyclopentyl]urea is sourced from PubChem (CID 140633335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).