2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane

C15H17ClF2 — CID 82934973

IUPAC2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESFc1ccc(CC2(CCl)CC3CCC2C3)cc1F
InChIInChI=1S/C15H17ClF2/c16-9-15(7-10-1-3-12(15)5-10)8-11-2-4-13(17)14(18)6-11/h2,4,6,10,12H,1,3,5,7-9H2
InChIKeyPASDQDOTUVWJRA-UHFFFAOYSA-N
MW270.75 g/mol
LogP4.55
Rot. Bonds3

About 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane

2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 82934973) has the molecular formula C15H17ClF2 and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane
PubChem CID82934973
Molecular FormulaC15H17ClF2
Molecular Weight270.75 g/mol
Exact Mass270.10
IUPAC Name2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESFc1ccc(CC2(CCl)CC3CCC2C3)cc1F
InChIInChI=1S/C15H17ClF2/c16-9-15(7-10-1-3-12(15)5-10)8-11-2-4-13(17)14(18)6-11/h2,4,6,10,12H,1,3,5,7-9H2
InChIKeyPASDQDOTUVWJRA-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane (CID 82934973) is 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane is Fc1ccc(CC2(CCl)CC3CCC2C3)cc1F.
What is the InChIKey of 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is PASDQDOTUVWJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2/c16-9-15(7-10-1-3-12(15)5-10)8-11-2-4-13(17)14(18)6-11/h2,4,6,10,12H,1,3,5,7-9H2.
What are the key properties of 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane?
2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 270.75 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 82934973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).