[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol

C16H20F2O2 — CID 115527624

IUPAC[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1cccc(C(F)F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H20F2O2/c17-15(18)12-4-1-3-11(9-12)14(19)13-5-8-20-16(10-13)6-2-7-16/h1,3-4,9,13-15,19H,2,5-8,10H2
InChIKeyKMSSIEFYDYZJBY-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.01
Rot. Bonds3

About [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol

[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 115527624) has the molecular formula C16H20F2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID115527624
Molecular FormulaC16H20F2O2
Molecular Weight282.33 g/mol
Exact Mass282.14
IUPAC Name[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1cccc(C(F)F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H20F2O2/c17-15(18)12-4-1-3-11(9-12)14(19)13-5-8-20-16(10-13)6-2-7-16/h1,3-4,9,13-15,19H,2,5-8,10H2
InChIKeyKMSSIEFYDYZJBY-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 115527624) is [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(c1cccc(C(F)F)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is KMSSIEFYDYZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2/c17-15(18)12-4-1-3-11(9-12)14(19)13-5-8-20-16(10-13)6-2-7-16/h1,3-4,9,13-15,19H,2,5-8,10H2.
What are the key properties of [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 282.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 115527624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).