2,2-difluoropropoxybenzene

C9H10F2O — CID 10997493

IUPAC2,2-difluoropropoxybenzene
SMILESCC(F)(F)COc1ccccc1
InChIInChI=1S/C9H10F2O/c1-9(10,11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyHINYTTQVEMFBIC-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.72
Rot. Bonds3

About 2,2-difluoropropoxybenzene

2,2-difluoropropoxybenzene (PubChem CID 10997493) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2,2-difluoropropoxybenzene.

Molecular Properties

Compound Name2,2-difluoropropoxybenzene
PubChem CID10997493
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2,2-difluoropropoxybenzene
SMILESCC(F)(F)COc1ccccc1
InChIInChI=1S/C9H10F2O/c1-9(10,11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyHINYTTQVEMFBIC-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
CID 84792720
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropoxybenzene?
The IUPAC name of 2,2-difluoropropoxybenzene (CID 10997493) is 2,2-difluoropropoxybenzene.
What is the SMILES notation for 2,2-difluoropropoxybenzene?
The canonical SMILES for 2,2-difluoropropoxybenzene is CC(F)(F)COc1ccccc1.
What is the InChIKey of 2,2-difluoropropoxybenzene?
The InChIKey is HINYTTQVEMFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-9(10,11)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2,2-difluoropropoxybenzene?
2,2-difluoropropoxybenzene has a molecular weight of 172.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropoxybenzene is sourced from PubChem (CID 10997493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).