(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C16H22FNO2 — CID 105116035

IUPAC(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1cncc(F)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H22FNO2/c17-14-8-13(10-18-11-14)15(19)12-4-7-20-16(9-12)5-2-1-3-6-16/h8,10-12,15,19H,1-7,9H2
InChIKeyTUVSMCVMOYQDAN-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.38
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 105116035) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID105116035
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1cncc(F)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H22FNO2/c17-14-8-13(10-18-11-14)15(19)12-4-7-20-16(9-12)5-2-1-3-6-16/h8,10-12,15,19H,1-7,9H2
InChIKeyTUVSMCVMOYQDAN-UHFFFAOYSA-N
XLogP3.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921119
(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
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 105116035) is (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is OC(c1cncc(F)c1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is TUVSMCVMOYQDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-8-13(10-18-11-14)15(19)12-4-7-20-16(9-12)5-2-1-3-6-16/h8,10-12,15,19H,1-7,9H2.
What are the key properties of (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 279.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 105116035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).