[5-hydroxy-2-(trifluoromethyl)pentyl]urea

C7H13F3N2O2 — CID 151699569

IUPAC[5-hydroxy-2-(trifluoromethyl)pentyl]urea
SMILESNC(=O)NCC(CCCO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5(2-1-3-13)4-12-6(11)14/h5,13H,1-4H2,(H3,11,12,14)
InChIKeyREHJOAMBUMGAEQ-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.61
Rot. Bonds5

About [5-hydroxy-2-(trifluoromethyl)pentyl]urea

[5-hydroxy-2-(trifluoromethyl)pentyl]urea (PubChem CID 151699569) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is [5-hydroxy-2-(trifluoromethyl)pentyl]urea.

Molecular Properties

Compound Name[5-hydroxy-2-(trifluoromethyl)pentyl]urea
PubChem CID151699569
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name[5-hydroxy-2-(trifluoromethyl)pentyl]urea
SMILESNC(=O)NCC(CCCO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5(2-1-3-13)4-12-6(11)14/h5,13H,1-4H2,(H3,11,12,14)
InChIKeyREHJOAMBUMGAEQ-UHFFFAOYSA-N
XLogP0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethyl)urea
CID 103859162
1-(5-Hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea
CID 107302714
1-(5-Hydroxypentyl)-3-(trifluoromethyl)urea
CID 108865969
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 110896387
1-(5-Hydroxy-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea
CID 111474170
3-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111509210
1-(2,2-Difluoroethyl)-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 112045564
1-(3-Fluoropropyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 112347985
1-(5-Hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea
CID 113347871
5-Hydroxypentylurea
CID 22179523
(5-Hydroxy-3-methylpentyl)urea
CID 174601244
1-Butyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103859737

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-(trifluoromethyl)pentyl]urea?
The IUPAC name of [5-hydroxy-2-(trifluoromethyl)pentyl]urea (CID 151699569) is [5-hydroxy-2-(trifluoromethyl)pentyl]urea.
What is the SMILES notation for [5-hydroxy-2-(trifluoromethyl)pentyl]urea?
The canonical SMILES for [5-hydroxy-2-(trifluoromethyl)pentyl]urea is NC(=O)NCC(CCCO)C(F)(F)F.
What is the InChIKey of [5-hydroxy-2-(trifluoromethyl)pentyl]urea?
The InChIKey is REHJOAMBUMGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)5(2-1-3-13)4-12-6(11)14/h5,13H,1-4H2,(H3,11,12,14).
What are the key properties of [5-hydroxy-2-(trifluoromethyl)pentyl]urea?
[5-hydroxy-2-(trifluoromethyl)pentyl]urea has a molecular weight of 214.19 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-(trifluoromethyl)pentyl]urea is sourced from PubChem (CID 151699569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).