1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene

C17H18F2O — CID 23188574

IUPAC1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(C(C)(F)F)cc2)cc1
InChIInChI=1S/C17H18F2O/c1-3-12-20-16-10-6-14(7-11-16)13-4-8-15(9-5-13)17(2,18)19/h4-11H,3,12H2,1-2H3
InChIKeySCJOBALCCYFKDZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP5.25
Rot. Bonds5

About 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene

1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene (PubChem CID 23188574) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
PubChem CID23188574
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(C(C)(F)F)cc2)cc1
InChIInChI=1S/C17H18F2O/c1-3-12-20-16-10-6-14(7-11-16)13-4-8-15(9-5-13)17(2,18)19/h4-11H,3,12H2,1-2H3
InChIKeySCJOBALCCYFKDZ-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.33
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
CID 112566600
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-propoxyphenyl)heptan-2-ol
CID 156764535
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene?
The IUPAC name of 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene (CID 23188574) is 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(C(C)(F)F)cc2)cc1.
What is the InChIKey of 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene?
The InChIKey is SCJOBALCCYFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-3-12-20-16-10-6-14(7-11-16)13-4-8-15(9-5-13)17(2,18)19/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene?
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene has a molecular weight of 276.33 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 23188574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).