2-(2,2-difluoro-3-phenylpropyl)furan

C13H12F2O — CID 177407030

IUPAC2-(2,2-difluoro-3-phenylpropyl)furan
SMILESFC(F)(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C13H12F2O/c14-13(15,10-12-7-4-8-16-12)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeySLPHDEOCWCZIPQ-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.70
Rot. Bonds4

About 2-(2,2-difluoro-3-phenylpropyl)furan

2-(2,2-difluoro-3-phenylpropyl)furan (PubChem CID 177407030) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-phenylpropyl)furan.

Molecular Properties

Compound Name2-(2,2-difluoro-3-phenylpropyl)furan
PubChem CID177407030
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name2-(2,2-difluoro-3-phenylpropyl)furan
SMILESFC(F)(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C13H12F2O/c14-13(15,10-12-7-4-8-16-12)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeySLPHDEOCWCZIPQ-UHFFFAOYSA-N
XLogP3.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2,2-trifluoroethyl)furan
CID 67627445
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
2,2-difluorobutylbenzene
CID 12695736
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan
CID 79455564
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
2-[2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 148633925
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
CID 164667093
CID 164667093

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-phenylpropyl)furan?
The IUPAC name of 2-(2,2-difluoro-3-phenylpropyl)furan (CID 177407030) is 2-(2,2-difluoro-3-phenylpropyl)furan.
What is the SMILES notation for 2-(2,2-difluoro-3-phenylpropyl)furan?
The canonical SMILES for 2-(2,2-difluoro-3-phenylpropyl)furan is FC(F)(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 2-(2,2-difluoro-3-phenylpropyl)furan?
The InChIKey is SLPHDEOCWCZIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O/c14-13(15,10-12-7-4-8-16-12)9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-(2,2-difluoro-3-phenylpropyl)furan?
2-(2,2-difluoro-3-phenylpropyl)furan has a molecular weight of 222.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-phenylpropyl)furan is sourced from PubChem (CID 177407030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).