ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene

C16H25F — CID 176568525

IUPACethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESCC.CC(C)C1(C)CCCc2c(F)cccc21
InChIInChI=1S/C14H19F.C2H6/c1-10(2)14(3)9-5-6-11-12(14)7-4-8-13(11)15;1-2/h4,7-8,10H,5-6,9H2,1-3H3;1-2H3
InChIKeyDNIWUVWTYKAJIZ-UHFFFAOYSA-N
MW236.37 g/mol
LogP5.10
Rot. Bonds1

About ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene

ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene (PubChem CID 176568525) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Nameethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
PubChem CID176568525
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Nameethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESCC.CC(C)C1(C)CCCc2c(F)cccc21
InChIInChI=1S/C14H19F.C2H6/c1-10(2)14(3)9-5-6-11-12(14)7-4-8-13(11)15;1-2/h4,7-8,10H,5-6,9H2,1-3H3;1-2H3
InChIKeyDNIWUVWTYKAJIZ-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996
4,7-difluoro-3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 169145613
8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-oxetane]
CID 84619079
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105464045
ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809294
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
(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
8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 170601628
(4-fluoro-1-methyl-2,3-dihydroinden-1-yl) prop-2-enoate
CID 89475100
4-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
CID 83069026

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene?
The IUPAC name of ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene (CID 176568525) is ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene is CC.CC(C)C1(C)CCCc2c(F)cccc21.
What is the InChIKey of ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene?
The InChIKey is DNIWUVWTYKAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F.C2H6/c1-10(2)14(3)9-5-6-11-12(14)7-4-8-13(11)15;1-2/h4,7-8,10H,5-6,9H2,1-3H3;1-2H3.
What are the key properties of ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene?
ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene has a molecular weight of 236.37 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 176568525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).