1-(difluoromethoxy)-4-(3-propylphenyl)benzene

C16H16F2O — CID 67565840

IUPAC1-(difluoromethoxy)-4-(3-propylphenyl)benzene
SMILESCCCc1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H16F2O/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(10-8-13)19-16(17)18/h3,5-11,16H,2,4H2,1H3
InChIKeyNFPBHPICDZNCRM-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.91
Rot. Bonds5

About 1-(difluoromethoxy)-4-(3-propylphenyl)benzene

1-(difluoromethoxy)-4-(3-propylphenyl)benzene (PubChem CID 67565840) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(3-propylphenyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(3-propylphenyl)benzene
PubChem CID67565840
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(difluoromethoxy)-4-(3-propylphenyl)benzene
SMILESCCCc1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H16F2O/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(10-8-13)19-16(17)18/h3,5-11,16H,2,4H2,1H3
InChIKeyNFPBHPICDZNCRM-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorobutyl)-3-[4-(difluoromethoxy)phenyl]benzene
CID 67577392
1-(difluoromethoxy)-4-[3-(4,4,4-trifluorobutyl)phenyl]benzene
CID 70299409
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
1-(difluoromethoxy)-4-[2-(3-propylphenyl)ethynyl]benzene;ethane
CID 143431890
1-phenyl-3-propylbenzene
CID 4110465
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-(3-propylphenyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-(3-propylphenyl)benzene (CID 67565840) is 1-(difluoromethoxy)-4-(3-propylphenyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-(3-propylphenyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-(3-propylphenyl)benzene is CCCc1cccc(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-(difluoromethoxy)-4-(3-propylphenyl)benzene?
The InChIKey is NFPBHPICDZNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(10-8-13)19-16(17)18/h3,5-11,16H,2,4H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-(3-propylphenyl)benzene?
1-(difluoromethoxy)-4-(3-propylphenyl)benzene has a molecular weight of 262.30 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(3-propylphenyl)benzene is sourced from PubChem (CID 67565840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).