5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene

C11H12ClF — CID 84721040

IUPAC5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
SMILESCC1(F)CCCc2cccc(Cl)c21
InChIInChI=1S/C11H12ClF/c1-11(13)7-3-5-8-4-2-6-9(12)10(8)11/h2,4,6H,3,5,7H2,1H3
InChIKeyFCRTVHDEYLUOHG-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.86
Rot. Bonds

About 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene

5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene (PubChem CID 84721040) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
PubChem CID84721040
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
SMILESCC1(F)CCCc2cccc(Cl)c21
InChIInChI=1S/C11H12ClF/c1-11(13)7-3-5-8-4-2-6-9(12)10(8)11/h2,4,6H,3,5,7H2,1H3
InChIKeyFCRTVHDEYLUOHG-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde
CID 84719917
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
CID 115010898
5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 67993898
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 83753287
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115020894
1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
CID 166790221
1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene
CID 118117376
(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 84729237
1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721905
2-(8-chloro-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057193
4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 107310805

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene (CID 84721040) is 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene is CC1(F)CCCc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene?
The InChIKey is FCRTVHDEYLUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c1-11(13)7-3-5-8-4-2-6-9(12)10(8)11/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene?
5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene has a molecular weight of 198.67 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 84721040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).