(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran

C8H12F2O — CID 58208603

IUPAC(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran
SMILESCC[C@H](C(F)F)[C@@H]1C=CCO1
InChIInChI=1S/C8H12F2O/c1-2-6(8(9)10)7-4-3-5-11-7/h3-4,6-8H,2,5H2,1H3/t6-,7-/m0/s1
InChIKeyNOCGOOUKTDIGCD-BQBZGAKWSA-N
MW162.18 g/mol
LogP2.23
Rot. Bonds3

About (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran

(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran (PubChem CID 58208603) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran
PubChem CID58208603
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran
SMILESCC[C@H](C(F)F)[C@@H]1C=CCO1
InChIInChI=1S/C8H12F2O/c1-2-6(8(9)10)7-4-3-5-11-7/h3-4,6-8H,2,5H2,1H3/t6-,7-/m0/s1
InChIKeyNOCGOOUKTDIGCD-BQBZGAKWSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Trifluoroethoxy-2-bicyclo[3.1.0]hexene
CID 129694105
(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane
CID 131863587
5-(1,1,1,2-Tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 59024486
(2S)-2-(1,1-difluorobutan-2-yl)-2,5-dihydrofuran
CID 68371975
6-Methyl-3-(trifluoromethoxy)cyclohepta-1,4-diene
CID 89642583
7-(Fluoromethoxy)-3,4-dimethyldec-5-ene
CID 90964698
(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,6-trimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
CID 121257119
(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene
CID 149315141
5-Methyl-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 156577375
(Z)-7,7-difluoro-4-methoxyhept-2-ene
CID 166734987
(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene
CID 167080208
3-Fluoro-2-methyl-5-propan-2-yl-2,5-dihydrofuran
CID 167191266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran?
The IUPAC name of (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran (CID 58208603) is (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran.
What is the SMILES notation for (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran?
The canonical SMILES for (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran is CC[C@H](C(F)F)[C@@H]1C=CCO1.
What is the InChIKey of (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran?
The InChIKey is NOCGOOUKTDIGCD-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H12F2O/c1-2-6(8(9)10)7-4-3-5-11-7/h3-4,6-8H,2,5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran?
(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran has a molecular weight of 162.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran is sourced from PubChem (CID 58208603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).