1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene

C15H15F3 — CID 118544454

IUPAC1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
SMILESCCC(C)(c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C15H15F3/c1-3-14(2,15(16,17)18)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3
InChIKeyKRVQADDFCAEZPT-UHFFFAOYSA-N
MW252.28 g/mol
LogP5.07
Rot. Bonds2

About 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene

1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene (PubChem CID 118544454) has the molecular formula C15H15F3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
PubChem CID118544454
Molecular FormulaC15H15F3
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
SMILESCCC(C)(c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C15H15F3/c1-3-14(2,15(16,17)18)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3
InChIKeyKRVQADDFCAEZPT-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.28
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-[difluoro(methylsulfanyl)methyl]naphthalene
CID 14982601
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376
[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane
CID 23236801
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
ethyl 3,3,3-trifluoro-2-hydroxy-2-naphthalen-1-ylpropanoate
CID 12060174

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
The IUPAC name of 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene (CID 118544454) is 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
The canonical SMILES for 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene is CCC(C)(c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
The InChIKey is KRVQADDFCAEZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3/c1-3-14(2,15(16,17)18)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3.
What are the key properties of 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene?
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene has a molecular weight of 252.28 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene is sourced from PubChem (CID 118544454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).