2-chloro-7-fluoronaphthalen-1-ol

C10H6ClFO — CID 175899189

IUPAC2-chloro-7-fluoronaphthalen-1-ol
SMILESOc1c(Cl)ccc2ccc(F)cc12
InChIInChI=1S/C10H6ClFO/c11-9-4-2-6-1-3-7(12)5-8(6)10(9)13/h1-5,13H
InChIKeyPWZJRMRBEAQTRV-UHFFFAOYSA-N
MW196.61 g/mol
LogP3.34
Rot. Bonds

About 2-chloro-7-fluoronaphthalen-1-ol

2-chloro-7-fluoronaphthalen-1-ol (PubChem CID 175899189) has the molecular formula C10H6ClFO and a molecular weight of 196.61 g/mol. Its IUPAC name is 2-chloro-7-fluoronaphthalen-1-ol.

Molecular Properties

Compound Name2-chloro-7-fluoronaphthalen-1-ol
PubChem CID175899189
Molecular FormulaC10H6ClFO
Molecular Weight196.61 g/mol
Exact Mass196.01
IUPAC Name2-chloro-7-fluoronaphthalen-1-ol
SMILESOc1c(Cl)ccc2ccc(F)cc12
InChIInChI=1S/C10H6ClFO/c11-9-4-2-6-1-3-7(12)5-8(6)10(9)13/h1-5,13H
InChIKeyPWZJRMRBEAQTRV-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoronaphthalen-1-ol?
The IUPAC name of 2-chloro-7-fluoronaphthalen-1-ol (CID 175899189) is 2-chloro-7-fluoronaphthalen-1-ol.
What is the SMILES notation for 2-chloro-7-fluoronaphthalen-1-ol?
The canonical SMILES for 2-chloro-7-fluoronaphthalen-1-ol is Oc1c(Cl)ccc2ccc(F)cc12.
What is the InChIKey of 2-chloro-7-fluoronaphthalen-1-ol?
The InChIKey is PWZJRMRBEAQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFO/c11-9-4-2-6-1-3-7(12)5-8(6)10(9)13/h1-5,13H.
What are the key properties of 2-chloro-7-fluoronaphthalen-1-ol?
2-chloro-7-fluoronaphthalen-1-ol has a molecular weight of 196.61 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoronaphthalen-1-ol is sourced from PubChem (CID 175899189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).