1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea

C8H12F6N2O — CID 2276888

IUPAC1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
SMILESCC[C@@H](C)NC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2O/c1-3-4(2)15-6(17)16-5(7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3,(H2,15,16,17)/t4-/m1/s1
InChIKeyJJMIZFIRKGFFBT-SCSAIBSYSA-N
MW266.19 g/mol
LogP2.58
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea

1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea (PubChem CID 2276888) has the molecular formula C8H12F6N2O and a molecular weight of 266.19 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
PubChem CID2276888
Molecular FormulaC8H12F6N2O
Molecular Weight266.19 g/mol
Exact Mass266.09
IUPAC Name1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
SMILESCC[C@@H](C)NC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2O/c1-3-4(2)15-6(17)16-5(7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3,(H2,15,16,17)/t4-/m1/s1
InChIKeyJJMIZFIRKGFFBT-SCSAIBSYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea (CID 2276888) is 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea is CC[C@@H](C)NC(=O)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The InChIKey is JJMIZFIRKGFFBT-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H12F6N2O/c1-3-4(2)15-6(17)16-5(7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3,(H2,15,16,17)/t4-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea has a molecular weight of 266.19 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea is sourced from PubChem (CID 2276888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).