1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea

C10H19F3N2O2 — CID 103710062

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCCC(CCO)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-8(4-5-16)6-14-9(17)15-7-10(11,12)13/h8,16H,2-7H2,1H3,(H2,14,15,17)
InChIKeyDKSOMDFUEPSRNH-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.65
Rot. Bonds7

About 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103710062) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103710062
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCCC(CCO)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-8(4-5-16)6-14-9(17)15-7-10(11,12)13/h8,16H,2-7H2,1H3,(H2,14,15,17)
InChIKeyDKSOMDFUEPSRNH-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 95908884
1-(4,4-difluorocyclohexyl)-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]urea
CID 124286887
1-(1-Cyclohexyl-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 72041994
1-(1-Cyclopentyl-2,2,2-trifluoroethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-YL]urea
CID 86800127
1-[(1R)-1-cyclohexyl-3-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 95980382
1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 95980383
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 99620722
1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 99620723
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621484
1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621485
1-[(3-Hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 103218186
1-(3-Ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea
CID 103657852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea (CID 103710062) is 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea is CCCC(CCO)CNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DKSOMDFUEPSRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-3-8(4-5-16)6-14-9(17)15-7-10(11,12)13/h8,16H,2-7H2,1H3,(H2,14,15,17).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 256.27 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).