1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea

C11H10F6N2O2 — CID 659522

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea
SMILESCC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c1-9(10(12,13)14,11(15,16)17)19-8(21)18-6-2-4-7(20)5-3-6/h2-5,20H,1H3,(H2,18,19,21)
InChIKeyCQHCKCAUPXMJRY-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.40
Rot. Bonds2

About 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea (PubChem CID 659522) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea
PubChem CID659522
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea
SMILESCC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c1-9(10(12,13)14,11(15,16)17)19-8(21)18-6-2-4-7(20)5-3-6/h2-5,20H,1H3,(H2,18,19,21)
InChIKeyCQHCKCAUPXMJRY-UHFFFAOYSA-N
XLogP3.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Acetaminophen
CID 1983
N-(4-Hydroxyphenyl)propanamide
CID 74325
(4-(Trifluoromethoxy)phenyl)urea
CID 2779224
4'-Hydroxybutyranilide
CID 66874
[4-[(2,3,4,5,6-Pentafluorophenyl)carbamoylamino]phenyl] sulfamate
CID 60155120
1-Cyclohexyl-3-(4-hydroxyphenyl)urea
CID 4051140
[4-[(2,3,4-Trifluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70684100
N-(4-Fluorophenyl)-N'-(4-hydroxyphenyl)thiourea
CID 681194
2-Propenamide, N-(4-hydroxyphenyl)-2-methyl-
CID 29520
N-(4-Hydroxyphenyl)urea
CID 197742
4-(N'-phenylureido)phenol
CID 4447317
N-Boc-4-hydroxyaniline
CID 2756771

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea (CID 659522) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea is CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea?
The InChIKey is CQHCKCAUPXMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c1-9(10(12,13)14,11(15,16)17)19-8(21)18-6-2-4-7(20)5-3-6/h2-5,20H,1H3,(H2,18,19,21).
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea has a molecular weight of 316.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 659522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).