4-(difluoromethyl)-4-hydroxycyclohexan-1-one

C7H10F2O2 — CID 80605227

IUPAC4-(difluoromethyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(C(F)F)CC1
InChIInChI=1S/C7H10F2O2/c8-6(9)7(11)3-1-5(10)2-4-7/h6,11H,1-4H2
InChIKeyNRZQVYBHTFZJCP-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.13
Rot. Bonds1

About 4-(difluoromethyl)-4-hydroxycyclohexan-1-one

4-(difluoromethyl)-4-hydroxycyclohexan-1-one (PubChem CID 80605227) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-(difluoromethyl)-4-hydroxycyclohexan-1-one
PubChem CID80605227
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name4-(difluoromethyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(C(F)F)CC1
InChIInChI=1S/C7H10F2O2/c8-6(9)7(11)3-1-5(10)2-4-7/h6,11H,1-4H2
InChIKeyNRZQVYBHTFZJCP-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-(difluoromethyl)-4-hydroxycyclohexan-1-one (CID 80605227) is 4-(difluoromethyl)-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-(difluoromethyl)-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-(difluoromethyl)-4-hydroxycyclohexan-1-one is O=C1CCC(O)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-4-hydroxycyclohexan-1-one?
The InChIKey is NRZQVYBHTFZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-6(9)7(11)3-1-5(10)2-4-7/h6,11H,1-4H2.
What are the key properties of 4-(difluoromethyl)-4-hydroxycyclohexan-1-one?
4-(difluoromethyl)-4-hydroxycyclohexan-1-one has a molecular weight of 164.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 80605227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).