1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene

C22H18F4O — CID 18513414

IUPAC1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene
SMILESCCCc1ccc(-c2ccc(COc3ccc(F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C22H18F4O/c1-2-3-14-4-8-18(21(25)10-14)15-5-6-16(20(24)11-15)13-27-17-7-9-19(23)22(26)12-17/h4-12H,2-3,13H2,1H3
InChIKeyYZXMDRWQWHVNFM-UHFFFAOYSA-N
MW374.38 g/mol
LogP6.44
Rot. Bonds6

About 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene

1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene (PubChem CID 18513414) has the molecular formula C22H18F4O and a molecular weight of 374.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene
PubChem CID18513414
Molecular FormulaC22H18F4O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene
SMILESCCCc1ccc(-c2ccc(COc3ccc(F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C22H18F4O/c1-2-3-14-4-8-18(21(25)10-14)15-5-6-16(20(24)11-15)13-27-17-7-9-19(23)22(26)12-17/h4-12H,2-3,13H2,1H3
InChIKeyYZXMDRWQWHVNFM-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.38
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
2-[2,3-difluoro-4-[4-[(2-fluoro-4-propylphenyl)methoxy]phenyl]phenyl]oxirane
CID 88977870
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
2-[[4-(3,4-difluorophenyl)-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 153438755
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2,3-difluoro-1-[4-[(3-fluoro-4-propylphenoxy)methyl]phenyl]-4-pentylbenzene
CID 58141396
1,2-difluoro-4-propylbenzene;methane
CID 160697343
1-(3,4-difluorophenyl)-4-[(E)-1,1-difluoro-3-[4-(4-propylphenyl)phenyl]prop-2-enoxy]-2-fluorobenzene
CID 58077415
2-[(E)-3-[4-(3,4-difluorophenyl)-3-fluorophenoxy]-3,3-difluoroprop-1-enyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 58077448
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene?
The IUPAC name of 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene (CID 18513414) is 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene?
The canonical SMILES for 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene is CCCc1ccc(-c2ccc(COc3ccc(F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene?
The InChIKey is YZXMDRWQWHVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4O/c1-2-3-14-4-8-18(21(25)10-14)15-5-6-16(20(24)11-15)13-27-17-7-9-19(23)22(26)12-17/h4-12H,2-3,13H2,1H3.
What are the key properties of 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene?
1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene has a molecular weight of 374.38 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene is sourced from PubChem (CID 18513414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).