1,4-difluorobenzene;formamide

C7H7F2NO — CID 143654917

IUPAC1,4-difluorobenzene;formamide
SMILESFc1ccc(F)cc1.NC=O
InChIInChI=1S/C6H4F2.CH3NO/c7-5-1-2-6(8)4-3-5;2-1-3/h1-4H;1H,(H2,2,3)
InChIKeyCKQQEXXHKKGMAL-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.07
Rot. Bonds

About 1,4-difluorobenzene;formamide

1,4-difluorobenzene;formamide (PubChem CID 143654917) has the molecular formula C7H7F2NO and a molecular weight of 159.14 g/mol. Its IUPAC name is 1,4-difluorobenzene;formamide.

Molecular Properties

Compound Name1,4-difluorobenzene;formamide
PubChem CID143654917
Molecular FormulaC7H7F2NO
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name1,4-difluorobenzene;formamide
SMILESFc1ccc(F)cc1.NC=O
InChIInChI=1S/C6H4F2.CH3NO/c7-5-1-2-6(8)4-3-5;2-1-3/h1-4H;1H,(H2,2,3)
InChIKeyCKQQEXXHKKGMAL-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,4-difluorobenzene bromide
CID 21301175
2-(4-fluorophenyl)acetaldehyde;propane
CID 142055613
4-fluoroaniline;propanal
CID 143106695
2,2-dibromo-2-(4-fluorophenyl)acetaldehyde
CID 87515928
(E)-4-(4-fluorophenyl)but-2-enal
CID 57413316
2-deuterio-3-(4-fluorophenyl)propanal
CID 57122378
2-bromo-2-(4-fluorophenyl)propanal
CID 174941375
aniline;4-fluorobenzaldehyde
CID 141187411
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
2-[4-(4-fluorophenoxy)phenyl]acetaldehyde
CID 87855455
formamide;1,2,3,4,5-pentafluorobenzene
CID 160585711
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobenzene;formamide?
The IUPAC name of 1,4-difluorobenzene;formamide (CID 143654917) is 1,4-difluorobenzene;formamide.
What is the SMILES notation for 1,4-difluorobenzene;formamide?
The canonical SMILES for 1,4-difluorobenzene;formamide is Fc1ccc(F)cc1.NC=O.
What is the InChIKey of 1,4-difluorobenzene;formamide?
The InChIKey is CKQQEXXHKKGMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.CH3NO/c7-5-1-2-6(8)4-3-5;2-1-3/h1-4H;1H,(H2,2,3).
What are the key properties of 1,4-difluorobenzene;formamide?
1,4-difluorobenzene;formamide has a molecular weight of 159.14 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzene;formamide is sourced from PubChem (CID 143654917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).