2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran

C7H9F3O — CID 162550877

IUPAC2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
SMILESCC(C1CC=CO1)C(F)(F)F
InChIInChI=1S/C7H9F3O/c1-5(7(8,9)10)6-3-2-4-11-6/h2,4-6H,3H2,1H3
InChIKeyQZXQCSNLSMBCSK-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.49
Rot. Bonds1

About 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran

2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran (PubChem CID 162550877) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
PubChem CID162550877
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
SMILESCC(C1CC=CO1)C(F)(F)F
InChIInChI=1S/C7H9F3O/c1-5(7(8,9)10)6-3-2-4-11-6/h2,4-6H,3H2,1H3
InChIKeyQZXQCSNLSMBCSK-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isopropyldihydrofuran
CID 85620083
2-(1,1-Difluoroethyl)-3,5-dimethyl-2,3-dihydrofuran
CID 89075927
2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan
CID 156562286
3,3-Difluoro-2,4-dimethyl-2,4-dihydropyran
CID 163950852
2-(difluoromethyl)-2-methyl-3H-furan
CID 173356491
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
CID 152924657
(2R,3S)-2-ethyl-3-methyl-2,3-dihydrofuran
CID 11137146
2-Ethyl-3-methyl-2,3-dihydrofuran
CID 74088711
3-Methyl-2-propan-2-yl-2,3-dihydrofuran
CID 89080789
(2S)-2-[(2S)-but-3-en-2-yl]-2,3-dihydrofuran
CID 89384318
(2S)-2-ethyl-3-methyl-2,3-dihydrofuran
CID 91043143
(2S,3R)-3-methyl-2-propan-2-yl-2,3-dihydrofuran
CID 121477249

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran (CID 162550877) is 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran is CC(C1CC=CO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
The InChIKey is QZXQCSNLSMBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-5(7(8,9)10)6-3-2-4-11-6/h2,4-6H,3H2,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran has a molecular weight of 166.14 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran is sourced from PubChem (CID 162550877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).