1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea

C10H20F2N2O2 — CID 110007146

IUPAC1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(CO)NC(=O)NCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-10(2,3)4-7(6-15)14-9(16)13-5-8(11)12/h7-8,15H,4-6H2,1-3H3,(H2,13,14,16)
InChIKeyHFCABDWCFLAKSL-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.35
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea

1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea (PubChem CID 110007146) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea
PubChem CID110007146
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(CO)NC(=O)NCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-10(2,3)4-7(6-15)14-9(16)13-5-8(11)12/h7-8,15H,4-6H2,1-3H3,(H2,13,14,16)
InChIKeyHFCABDWCFLAKSL-UHFFFAOYSA-N
XLogP1.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea (CID 110007146) is 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea is CC(C)(C)CC(CO)NC(=O)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
The InChIKey is HFCABDWCFLAKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-10(2,3)4-7(6-15)14-9(16)13-5-8(11)12/h7-8,15H,4-6H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea has a molecular weight of 238.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea is sourced from PubChem (CID 110007146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).