(6,6-difluorospiro[2.5]octan-2-yl)methanol

C9H14F2O — CID 135392735

IUPAC(6,6-difluorospiro[2.5]octan-2-yl)methanol
SMILESOCC1CC12CCC(F)(F)CC2
InChIInChI=1S/C9H14F2O/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7,12H,1-6H2
InChIKeyQLSTVMUKZLCUSX-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.19
Rot. Bonds1

About (6,6-difluorospiro[2.5]octan-2-yl)methanol

(6,6-difluorospiro[2.5]octan-2-yl)methanol (PubChem CID 135392735) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (6,6-difluorospiro[2.5]octan-2-yl)methanol.

Molecular Properties

Compound Name(6,6-difluorospiro[2.5]octan-2-yl)methanol
PubChem CID135392735
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(6,6-difluorospiro[2.5]octan-2-yl)methanol
SMILESOCC1CC12CCC(F)(F)CC2
InChIInChI=1S/C9H14F2O/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7,12H,1-6H2
InChIKeyQLSTVMUKZLCUSX-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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Related Compounds

2-(4,4-Difluorocyclohexyl)ethan-1-ol
CID 66583726
{Spiro[2.5]octan-1-yl}methanol
CID 81358403
(1-(Trifluoromethyl)cyclohexyl)methanol
CID 86703447
1,1-Difluorospiro(2.5)octan-6-ol
CID 91811063
(2,2-Difluoro-1-methylcyclohexyl)methanol
CID 105432379
rac-((3R,4S)-1,1-difluorospiro(2.5)octan-4-yl)methanol
CID 155822045
2-{Spiro[2.5]octan-4-yl}ethan-1-ol
CID 155822589
{2,2-Difluorobicyclo[3.1.0]hexan-1-yl}methanol
CID 165590590
2-(4,4-Difluorocyclohexyl)propan-1-ol
CID 165991618
{6,6-Difluorobicyclo[3.1.0]hexan-1-yl}methanol
CID 167720855
[(1S,2R,3R)-2-cyclohexyl-3-fluorocyclopropyl]methanol
CID 102599033
(2S)-2-cyclohexyl-3,3,3-trifluoropropan-1-ol
CID 131041887

Frequently Asked Questions

What is the IUPAC name of (6,6-difluorospiro[2.5]octan-2-yl)methanol?
The IUPAC name of (6,6-difluorospiro[2.5]octan-2-yl)methanol (CID 135392735) is (6,6-difluorospiro[2.5]octan-2-yl)methanol.
What is the SMILES notation for (6,6-difluorospiro[2.5]octan-2-yl)methanol?
The canonical SMILES for (6,6-difluorospiro[2.5]octan-2-yl)methanol is OCC1CC12CCC(F)(F)CC2.
What is the InChIKey of (6,6-difluorospiro[2.5]octan-2-yl)methanol?
The InChIKey is QLSTVMUKZLCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7,12H,1-6H2.
What are the key properties of (6,6-difluorospiro[2.5]octan-2-yl)methanol?
(6,6-difluorospiro[2.5]octan-2-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 (6,6-difluorospiro[2.5]octan-2-yl)methanol is sourced from PubChem (CID 135392735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).