3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane

C15H19F5O — CID 142545016

IUPAC3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane
SMILESCC.CC(c1cc(F)c(C(F)(F)F)cc1F)C1CC(O)C1
InChIInChI=1S/C13H13F5O.C2H6/c1-6(7-2-8(19)3-7)9-4-12(15)10(5-11(9)14)13(16,17)18;1-2/h4-8,19H,2-3H2,1H3;1-2H3
InChIKeyZPPBZROJVJDOJS-UHFFFAOYSA-N
MW310.31 g/mol
LogP4.88
Rot. Bonds2

About 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane

3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane (PubChem CID 142545016) has the molecular formula C15H19F5O and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane.

Molecular Properties

Compound Name3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane
PubChem CID142545016
Molecular FormulaC15H19F5O
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC Name3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane
SMILESCC.CC(c1cc(F)c(C(F)(F)F)cc1F)C1CC(O)C1
InChIInChI=1S/C13H13F5O.C2H6/c1-6(7-2-8(19)3-7)9-4-12(15)10(5-11(9)14)13(16,17)18;1-2/h4-8,19H,2-3H2,1H3;1-2H3
InChIKeyZPPBZROJVJDOJS-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137
(2R,5R)-1-[2-(difluoromethyl)pyridine-4-carbonyl]-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(3-hydroxycyclobutyl)methyl]-5-methylpyrrolidine-2-carboxamide
CID 174023070
(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 138466509
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-5-(trifluoromethyl)phenol
CID 66514812
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 178201686
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171032554
(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515547
(2R)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515548
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol
CID 107287922

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane?
The IUPAC name of 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane (CID 142545016) is 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane.
What is the SMILES notation for 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane?
The canonical SMILES for 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane is CC.CC(c1cc(F)c(C(F)(F)F)cc1F)C1CC(O)C1.
What is the InChIKey of 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane?
The InChIKey is ZPPBZROJVJDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5O.C2H6/c1-6(7-2-8(19)3-7)9-4-12(15)10(5-11(9)14)13(16,17)18;1-2/h4-8,19H,2-3H2,1H3;1-2H3.
What are the key properties of 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane?
3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane has a molecular weight of 310.31 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane is sourced from PubChem (CID 142545016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).