2-(4,4,4-trifluorobutyl)naphthalene

C14H13F3 — CID 91307122

IUPAC2-(4,4,4-trifluorobutyl)naphthalene
SMILESFC(F)(F)CCCc1ccc2ccccc2c1
InChIInChI=1S/C14H13F3/c15-14(16,17)9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-8,10H,3-4,9H2
InChIKeyIFHMPRXAJGVVCQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP4.72
Rot. Bonds3

About 2-(4,4,4-trifluorobutyl)naphthalene

2-(4,4,4-trifluorobutyl)naphthalene (PubChem CID 91307122) has the molecular formula C14H13F3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)naphthalene.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)naphthalene
PubChem CID91307122
Molecular FormulaC14H13F3
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name2-(4,4,4-trifluorobutyl)naphthalene
SMILESFC(F)(F)CCCc1ccc2ccccc2c1
InChIInChI=1S/C14H13F3/c15-14(16,17)9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-8,10H,3-4,9H2
InChIKeyIFHMPRXAJGVVCQ-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-(5,5-difluoropentyl)naphthalene
CID 68979271
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
ethane;2-hexylnaphthalene
CID 142191207
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
CID 117047105
CID 57459119
CID 57459119
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
CID 67834954
2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
CID 14148730
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)naphthalene?
The IUPAC name of 2-(4,4,4-trifluorobutyl)naphthalene (CID 91307122) is 2-(4,4,4-trifluorobutyl)naphthalene.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)naphthalene?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)naphthalene is FC(F)(F)CCCc1ccc2ccccc2c1.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)naphthalene?
The InChIKey is IFHMPRXAJGVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3/c15-14(16,17)9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-8,10H,3-4,9H2.
What are the key properties of 2-(4,4,4-trifluorobutyl)naphthalene?
2-(4,4,4-trifluorobutyl)naphthalene has a molecular weight of 238.25 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)naphthalene is sourced from PubChem (CID 91307122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).