8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol

C17H22ClFO — CID 102857061

IUPAC8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
SMILESOC1(Cc2cccc(Cl)c2F)CCC2(CCCC2)CC1
InChIInChI=1S/C17H22ClFO/c18-14-5-3-4-13(15(14)19)12-17(20)10-8-16(9-11-17)6-1-2-7-16/h3-5,20H,1-2,6-12H2
InChIKeyBSUJGPJOXYLBCL-UHFFFAOYSA-N
MW296.81 g/mol
LogP4.89
Rot. Bonds2

About 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol

8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol (PubChem CID 102857061) has the molecular formula C17H22ClFO and a molecular weight of 296.81 g/mol. Its IUPAC name is 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
PubChem CID102857061
Molecular FormulaC17H22ClFO
Molecular Weight296.81 g/mol
Exact Mass296.13
IUPAC Name8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
SMILESOC1(Cc2cccc(Cl)c2F)CCC2(CCCC2)CC1
InChIInChI=1S/C17H22ClFO/c18-14-5-3-4-13(15(14)19)12-17(20)10-8-16(9-11-17)6-1-2-7-16/h3-5,20H,1-2,6-12H2
InChIKeyBSUJGPJOXYLBCL-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
4-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxycyclohexan-1-one
CID 102856928
8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 102856927
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol?
The IUPAC name of 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol (CID 102857061) is 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol?
The canonical SMILES for 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol is OC1(Cc2cccc(Cl)c2F)CCC2(CCCC2)CC1.
What is the InChIKey of 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol?
The InChIKey is BSUJGPJOXYLBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFO/c18-14-5-3-4-13(15(14)19)12-17(20)10-8-16(9-11-17)6-1-2-7-16/h3-5,20H,1-2,6-12H2.
What are the key properties of 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol?
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol has a molecular weight of 296.81 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol is sourced from PubChem (CID 102857061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).