(2,2-difluorospiro[2.5]octan-7-yl)methanol

C9H14F2O — CID 155893433

IUPAC(2,2-difluorospiro[2.5]octan-7-yl)methanol
SMILESOCC1CCCC2(C1)CC2(F)F
InChIInChI=1S/C9H14F2O/c10-9(11)6-8(9)3-1-2-7(4-8)5-12/h7,12H,1-6H2
InChIKeyFXOAWPMHWFICDO-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.19
Rot. Bonds1

About (2,2-difluorospiro[2.5]octan-7-yl)methanol

(2,2-difluorospiro[2.5]octan-7-yl)methanol (PubChem CID 155893433) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (2,2-difluorospiro[2.5]octan-7-yl)methanol.

Molecular Properties

Compound Name(2,2-difluorospiro[2.5]octan-7-yl)methanol
PubChem CID155893433
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2,2-difluorospiro[2.5]octan-7-yl)methanol
SMILESOCC1CCCC2(C1)CC2(F)F
InChIInChI=1S/C9H14F2O/c10-9(11)6-8(9)3-1-2-7(4-8)5-12/h7,12H,1-6H2
InChIKeyFXOAWPMHWFICDO-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorospiro[2.5]octan-7-yl)methanol?
The IUPAC name of (2,2-difluorospiro[2.5]octan-7-yl)methanol (CID 155893433) is (2,2-difluorospiro[2.5]octan-7-yl)methanol.
What is the SMILES notation for (2,2-difluorospiro[2.5]octan-7-yl)methanol?
The canonical SMILES for (2,2-difluorospiro[2.5]octan-7-yl)methanol is OCC1CCCC2(C1)CC2(F)F.
What is the InChIKey of (2,2-difluorospiro[2.5]octan-7-yl)methanol?
The InChIKey is FXOAWPMHWFICDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c10-9(11)6-8(9)3-1-2-7(4-8)5-12/h7,12H,1-6H2.
What are the key properties of (2,2-difluorospiro[2.5]octan-7-yl)methanol?
(2,2-difluorospiro[2.5]octan-7-yl)methanol has a molecular weight of 176.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorospiro[2.5]octan-7-yl)methanol is sourced from PubChem (CID 155893433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).