(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan

C12H11F3O — CID 132563621

IUPAC(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan
SMILESC[C@]1(c2ccc(C(F)(F)F)cc2)CC=CO1
InChIInChI=1S/C12H11F3O/c1-11(7-2-8-16-11)9-3-5-10(6-4-9)12(13,14)15/h2-6,8H,7H2,1H3/t11-/m1/s1
InChIKeyMQJDUXFALAOZHH-LLVKDONJSA-N
MW228.21 g/mol
LogP3.85
Rot. Bonds1

About (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan

(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan (PubChem CID 132563621) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan.

Molecular Properties

Compound Name(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan
PubChem CID132563621
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan
SMILESC[C@]1(c2ccc(C(F)(F)F)cc2)CC=CO1
InChIInChI=1S/C12H11F3O/c1-11(7-2-8-16-11)9-3-5-10(6-4-9)12(13,14)15/h2-6,8H,7H2,1H3/t11-/m1/s1
InChIKeyMQJDUXFALAOZHH-LLVKDONJSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile
CID 132563619
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
CID 91385555
2-tert-butyl-2-[4-(trifluoromethyl)phenyl]adamantane
CID 15354982
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
ethane;bis(trifluoromethylbenzene)
CID 142912000
3-methyl-3-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 121003172
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 79834999
(1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 58088333
(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 143783814
1,3,5,7-tetrakis[4-[4-(trifluoromethyl)phenyl]phenyl]adamantane
CID 56647379

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan?
The IUPAC name of (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan (CID 132563621) is (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan.
What is the SMILES notation for (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan?
The canonical SMILES for (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan is C[C@]1(c2ccc(C(F)(F)F)cc2)CC=CO1.
What is the InChIKey of (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan?
The InChIKey is MQJDUXFALAOZHH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11F3O/c1-11(7-2-8-16-11)9-3-5-10(6-4-9)12(13,14)15/h2-6,8H,7H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan?
(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan has a molecular weight of 228.21 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan is sourced from PubChem (CID 132563621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).