2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane

C16H20ClF — CID 79549846

IUPAC2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
SMILESFc1ccccc1C(CCl)CC1CC2CCC1C2
InChIInChI=1S/C16H20ClF/c17-10-14(15-3-1-2-4-16(15)18)9-13-8-11-5-6-12(13)7-11/h1-4,11-14H,5-10H2
InChIKeyOFEUIQKYLSQNMH-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.97
Rot. Bonds4

About 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane

2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 79549846) has the molecular formula C16H20ClF and a molecular weight of 266.79 g/mol. Its IUPAC name is 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
PubChem CID79549846
Molecular FormulaC16H20ClF
Molecular Weight266.79 g/mol
Exact Mass266.12
IUPAC Name2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
SMILESFc1ccccc1C(CCl)CC1CC2CCC1C2
InChIInChI=1S/C16H20ClF/c17-10-14(15-3-1-2-4-16(15)18)9-13-8-11-5-6-12(13)7-11/h1-4,11-14H,5-10H2
InChIKeyOFEUIQKYLSQNMH-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(2,4,5-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 103304047
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 79562895
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
CID 79563384
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
2-[2-chloro-2-(2,4,6-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63430426
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
CID 105020691
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
CID 105052415
4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
CID 65186189

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane (CID 79549846) is 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane is Fc1ccccc1C(CCl)CC1CC2CCC1C2.
What is the InChIKey of 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is OFEUIQKYLSQNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF/c17-10-14(15-3-1-2-4-16(15)18)9-13-8-11-5-6-12(13)7-11/h1-4,11-14H,5-10H2.
What are the key properties of 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane?
2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 266.79 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 79549846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).