4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan

C9H10ClF3O — CID 58736306

IUPAC4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
SMILESCC(C)[C@@H](c1cc(Cl)co1)C(F)(F)F
InChIInChI=1S/C9H10ClF3O/c1-5(2)8(9(11,12)13)7-3-6(10)4-14-7/h3-5,8H,1-2H3/t8-/m0/s1
InChIKeyOEQOPGLNICXRQU-QMMMGPOBSA-N
MW226.62 g/mol
LogP4.23
Rot. Bonds2

About 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan

4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan (PubChem CID 58736306) has the molecular formula C9H10ClF3O and a molecular weight of 226.62 g/mol. Its IUPAC name is 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan.

Molecular Properties

Compound Name4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
PubChem CID58736306
Molecular FormulaC9H10ClF3O
Molecular Weight226.62 g/mol
Exact Mass226.04
IUPAC Name4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
SMILESCC(C)[C@@H](c1cc(Cl)co1)C(F)(F)F
InChIInChI=1S/C9H10ClF3O/c1-5(2)8(9(11,12)13)7-3-6(10)4-14-7/h3-5,8H,1-2H3/t8-/m0/s1
InChIKeyOEQOPGLNICXRQU-QMMMGPOBSA-N
XLogP4.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
The IUPAC name of 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan (CID 58736306) is 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan.
What is the SMILES notation for 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
The canonical SMILES for 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan is CC(C)[C@@H](c1cc(Cl)co1)C(F)(F)F.
What is the InChIKey of 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
The InChIKey is OEQOPGLNICXRQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClF3O/c1-5(2)8(9(11,12)13)7-3-6(10)4-14-7/h3-5,8H,1-2H3/t8-/m0/s1.
What are the key properties of 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan?
4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan has a molecular weight of 226.62 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan is sourced from PubChem (CID 58736306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).