1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 103218186

IUPAC1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCC(O)C1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(16)13-4-6-1-2-7(15)3-6/h6-7,15H,1-5H2,(H2,13,14,16)
InChIKeyVOZVKQAUWYZIFH-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.01
Rot. Bonds3

About 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103218186) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103218186
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCC(O)C1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(16)13-4-6-1-2-7(15)3-6/h6-7,15H,1-5H2,(H2,13,14,16)
InChIKeyVOZVKQAUWYZIFH-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280270
1-[(3-Hydroxycyclopentyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 86819000
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 99858691
1-[[(1S,3R)-3-hydroxycyclopentyl]methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 99858692
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 99858693
1-[[(1S,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 99858694
2,2,2-trifluoroethyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103265515
3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279729
2,2,3,3-tetrafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280392
1-[2-(2-Hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea
CID 103710062
2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106119735
3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
CID 106119884

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 103218186) is 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC1CCC(O)C1)NCC(F)(F)F.
What is the InChIKey of 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VOZVKQAUWYZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(16)13-4-6-1-2-7(15)3-6/h6-7,15H,1-5H2,(H2,13,14,16).
What are the key properties of 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103218186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).