4,4,8-trifluoro-2,3-dihydro-1H-naphthalene

C10H9F3 — CID 84718996

IUPAC4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
SMILESFc1cccc2c1CCCC2(F)F
InChIInChI=1S/C10H9F3/c11-9-5-1-4-8-7(9)3-2-6-10(8,12)13/h1,4-5H,2-3,6H2
InChIKeyPXAGRPQPSJBBTQ-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.25
Rot. Bonds

About 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene

4,4,8-trifluoro-2,3-dihydro-1H-naphthalene (PubChem CID 84718996) has the molecular formula C10H9F3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
PubChem CID84718996
Molecular FormulaC10H9F3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
SMILESFc1cccc2c1CCCC2(F)F
InChIInChI=1S/C10H9F3/c11-9-5-1-4-8-7(9)3-2-6-10(8,12)13/h1,4-5H,2-3,6H2
InChIKeyPXAGRPQPSJBBTQ-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 176568525
8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-oxetane]
CID 84619079
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105464045
(4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
CID 166499768
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
CID 106651521
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-amine
CID 115057113
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010849
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
(3S)-7-fluorospiro[1,2-dihydroindene-3,3'-piperidine]
CID 97290270
ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809294
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121

Frequently Asked Questions

What is the IUPAC name of 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene (CID 84718996) is 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene is Fc1cccc2c1CCCC2(F)F.
What is the InChIKey of 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene?
The InChIKey is PXAGRPQPSJBBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3/c11-9-5-1-4-8-7(9)3-2-6-10(8,12)13/h1,4-5H,2-3,6H2.
What are the key properties of 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene?
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene has a molecular weight of 186.18 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trifluoro-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 84718996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).