1,2-difluoro-4-(3-propylcyclobutyl)benzene

C13H16F2 — CID 19387615

IUPAC1,2-difluoro-4-(3-propylcyclobutyl)benzene
SMILESCCCC1CC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2/c1-2-3-9-6-11(7-9)10-4-5-12(14)13(15)8-10/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyRNWMWQHCXNNBSX-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.26
Rot. Bonds3

About 1,2-difluoro-4-(3-propylcyclobutyl)benzene

1,2-difluoro-4-(3-propylcyclobutyl)benzene (PubChem CID 19387615) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,2-difluoro-4-(3-propylcyclobutyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(3-propylcyclobutyl)benzene
PubChem CID19387615
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1,2-difluoro-4-(3-propylcyclobutyl)benzene
SMILESCCCC1CC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2/c1-2-3-9-6-11(7-9)10-4-5-12(14)13(15)8-10/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyRNWMWQHCXNNBSX-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane
CID 19387617
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[(4R,5R)-2,2,3,3,5,6-hexadeuterio-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173275885
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
CID 89280493
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(3-propylcyclobutyl)benzene?
The IUPAC name of 1,2-difluoro-4-(3-propylcyclobutyl)benzene (CID 19387615) is 1,2-difluoro-4-(3-propylcyclobutyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(3-propylcyclobutyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(3-propylcyclobutyl)benzene is CCCC1CC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1,2-difluoro-4-(3-propylcyclobutyl)benzene?
The InChIKey is RNWMWQHCXNNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-2-3-9-6-11(7-9)10-4-5-12(14)13(15)8-10/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1,2-difluoro-4-(3-propylcyclobutyl)benzene?
1,2-difluoro-4-(3-propylcyclobutyl)benzene has a molecular weight of 210.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(3-propylcyclobutyl)benzene is sourced from PubChem (CID 19387615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).