4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol

C6H11F2NO2 — CID 54048306

IUPAC4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol
SMILESCC(C)(CO)C(N=O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h4-5,10H,3H2,1-2H3
InChIKeyLRCQHKULFNVDBH-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.40
Rot. Bonds4

About 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol

4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol (PubChem CID 54048306) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol
PubChem CID54048306
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol
SMILESCC(C)(CO)C(N=O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h4-5,10H,3H2,1-2H3
InChIKeyLRCQHKULFNVDBH-UHFFFAOYSA-N
XLogP1.40
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol?
The IUPAC name of 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol (CID 54048306) is 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol.
What is the SMILES notation for 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol?
The canonical SMILES for 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol is CC(C)(CO)C(N=O)C(F)F.
What is the InChIKey of 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol?
The InChIKey is LRCQHKULFNVDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h4-5,10H,3H2,1-2H3.
What are the key properties of 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol?
4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol has a molecular weight of 167.16 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2-dimethyl-3-nitrosobutan-1-ol is sourced from PubChem (CID 54048306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).