2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C17H22F2O — CID 115401287

IUPAC2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1cccc(F)c1F
InChIInChI=1S/C17H22F2O/c1-15(2)12-7-8-16(3,10-12)17(15,20)9-11-5-4-6-13(18)14(11)19/h4-6,12,20H,7-10H2,1-3H3
InChIKeyDGXJVSUQEDPNTP-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.08
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 115401287) has the molecular formula C17H22F2O and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID115401287
Molecular FormulaC17H22F2O
Molecular Weight280.36 g/mol
Exact Mass280.16
IUPAC Name2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1cccc(F)c1F
InChIInChI=1S/C17H22F2O/c1-15(2)12-7-8-16(3,10-12)17(15,20)9-11-5-4-6-13(18)14(11)19/h4-6,12,20H,7-10H2,1-3H3
InChIKeyDGXJVSUQEDPNTP-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

2-[(4-fluoro-2-methylphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114346975
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361
2-[(3-bromophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401415
1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 113446853
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
1-[(2,3-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400694
3-[(2,3-difluorophenyl)methyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171961736
3-[(2,3-difluorophenyl)methyl]-5-methylthiolan-3-ol
CID 79949457
[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62740993
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79865443
3-[(2,3-difluorophenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171961738

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 115401287) is 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is DGXJVSUQEDPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O/c1-15(2)12-7-8-16(3,10-12)17(15,20)9-11-5-4-6-13(18)14(11)19/h4-6,12,20H,7-10H2,1-3H3.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 280.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).