1-chloro-3-(difluoromethoxy)naphthalene

C11H7ClF2O — CID 118805249

IUPAC1-chloro-3-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1cc(Cl)c2ccccc2c1
InChIInChI=1S/C11H7ClF2O/c12-10-6-8(15-11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKeyPLWFLVGAAYHFKI-UHFFFAOYSA-N
MW228.63 g/mol
LogP4.09
Rot. Bonds2

About 1-chloro-3-(difluoromethoxy)naphthalene

1-chloro-3-(difluoromethoxy)naphthalene (PubChem CID 118805249) has the molecular formula C11H7ClF2O and a molecular weight of 228.63 g/mol. Its IUPAC name is 1-chloro-3-(difluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-chloro-3-(difluoromethoxy)naphthalene
PubChem CID118805249
Molecular FormulaC11H7ClF2O
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name1-chloro-3-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1cc(Cl)c2ccccc2c1
InChIInChI=1S/C11H7ClF2O/c12-10-6-8(15-11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKeyPLWFLVGAAYHFKI-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-(difluoromethoxy)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-1-iodonaphthalene
CID 118814613
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
CID 171032891
1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
CID 157339906
2,3-bis(difluoromethoxy)naphthalene
CID 119020355
6-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118813552
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 166641394
1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
CID 134629997
1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689
difluoromethoxybenzene;ethane
CID 142246454

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(difluoromethoxy)naphthalene?
The IUPAC name of 1-chloro-3-(difluoromethoxy)naphthalene (CID 118805249) is 1-chloro-3-(difluoromethoxy)naphthalene.
What is the SMILES notation for 1-chloro-3-(difluoromethoxy)naphthalene?
The canonical SMILES for 1-chloro-3-(difluoromethoxy)naphthalene is FC(F)Oc1cc(Cl)c2ccccc2c1.
What is the InChIKey of 1-chloro-3-(difluoromethoxy)naphthalene?
The InChIKey is PLWFLVGAAYHFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2O/c12-10-6-8(15-11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H.
What are the key properties of 1-chloro-3-(difluoromethoxy)naphthalene?
1-chloro-3-(difluoromethoxy)naphthalene has a molecular weight of 228.63 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(difluoromethoxy)naphthalene is sourced from PubChem (CID 118805249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).