2-chloro-1-(difluoromethyl)naphthalene

C11H7ClF2 — CID 119014029

IUPAC2-chloro-1-(difluoromethyl)naphthalene
SMILESFC(F)c1c(Cl)ccc2ccccc12
InChIInChI=1S/C11H7ClF2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,11H
InChIKeyRGGRGBDNIPNNJN-UHFFFAOYSA-N
MW212.63 g/mol
LogP4.43
Rot. Bonds1

About 2-chloro-1-(difluoromethyl)naphthalene

2-chloro-1-(difluoromethyl)naphthalene (PubChem CID 119014029) has the molecular formula C11H7ClF2 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethyl)naphthalene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethyl)naphthalene
PubChem CID119014029
Molecular FormulaC11H7ClF2
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-chloro-1-(difluoromethyl)naphthalene
SMILESFC(F)c1c(Cl)ccc2ccccc12
InChIInChI=1S/C11H7ClF2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,11H
InChIKeyRGGRGBDNIPNNJN-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethyl)naphthalene?
The IUPAC name of 2-chloro-1-(difluoromethyl)naphthalene (CID 119014029) is 2-chloro-1-(difluoromethyl)naphthalene.
What is the SMILES notation for 2-chloro-1-(difluoromethyl)naphthalene?
The canonical SMILES for 2-chloro-1-(difluoromethyl)naphthalene is FC(F)c1c(Cl)ccc2ccccc12.
What is the InChIKey of 2-chloro-1-(difluoromethyl)naphthalene?
The InChIKey is RGGRGBDNIPNNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,11H.
What are the key properties of 2-chloro-1-(difluoromethyl)naphthalene?
2-chloro-1-(difluoromethyl)naphthalene has a molecular weight of 212.63 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethyl)naphthalene is sourced from PubChem (CID 119014029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).