3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea

C8H15FN2O — CID 130610311

IUPAC3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C8H15FN2O/c1-11(2)8(12)10-7-5-3-4-6(7)9/h6-7H,3-5H2,1-2H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyHLAKGVYQVFFKLG-NKWVEPMBSA-N
MW174.22 g/mol
LogP1.15
Rot. Bonds1

About 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea

3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea (PubChem CID 130610311) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea
PubChem CID130610311
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C8H15FN2O/c1-11(2)8(12)10-7-5-3-4-6(7)9/h6-7H,3-5H2,1-2H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyHLAKGVYQVFFKLG-NKWVEPMBSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentylurea
CID 294526
N-butyl-N'-cyclopentylurea
CID 4150224
N,N'-Dicyclopentylurea
CID 13812604
N-Cyclopentyl-N'-methylurea
CID 13428331
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
CID 126768727
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
(3,3-Difluorocyclopentyl)urea
CID 88975015
1-Hexan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348838
1-Pentan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348956
N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide
CID 123555608
[(1R)-3,3-difluorocyclopentyl]urea
CID 140633335

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea (CID 130610311) is 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea is CN(C)C(=O)N[C@@H]1CCC[C@@H]1F.
What is the InChIKey of 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea?
The InChIKey is HLAKGVYQVFFKLG-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-11(2)8(12)10-7-5-3-4-6(7)9/h6-7H,3-5H2,1-2H3,(H,10,12)/t6-,7+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea?
3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea has a molecular weight of 174.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-fluorocyclopentyl]-1,1-dimethylurea is sourced from PubChem (CID 130610311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).