1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene

C21H20F4 — CID 54024865

IUPAC1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)c(F)c1F
InChIInChI=1S/C21H20F4/c1-2-3-17-8-9-18(20(23)19(17)22)16-6-4-14(5-7-16)15-10-12-21(24,25)13-11-15/h2-9,15H,10-13H2,1H3
InChIKeyLBLWNZCNNNMVJC-UHFFFAOYSA-N
MW348.38 g/mol
LogP6.96
Rot. Bonds3

About 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene

1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene (PubChem CID 54024865) has the molecular formula C21H20F4 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene
PubChem CID54024865
Molecular FormulaC21H20F4
Molecular Weight348.38 g/mol
Exact Mass348.15
IUPAC Name1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)c(F)c1F
InChIInChI=1S/C21H20F4/c1-2-3-17-8-9-18(20(23)19(17)22)16-6-4-14(5-7-16)15-10-12-21(24,25)13-11-15/h2-9,15H,10-13H2,1H3
InChIKeyLBLWNZCNNNMVJC-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-[(E)-non-1-enyl]benzene
CID 22123891
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-[(E)-oct-1-enyl]benzene
CID 22123943
1-but-2-enyl-4-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluorobenzene
CID 57063698
1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene
CID 70185336
7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
CID 139862781
3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 58953489
1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 91062077
2,3-difluoro-1-[4-(4-fluorocyclohexyl)phenyl]-4-[(E)-undec-1-enyl]benzene
CID 22123923
1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene
CID 151822303
1-[2-[4-(4,4-difluorocyclohexyl)phenyl]ethynyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene
CID 139730083
2-[4-[4-[(E)-2-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]phenyl]-2,3-difluorophenyl]oxirane
CID 89124530
4-[[3-[4-(4,4-difluorocyclohexyl)phenyl]-2-fluorophenyl]sulfonylamino]-3-methoxybenzoic acid
CID 167476551

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene?
The IUPAC name of 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene (CID 54024865) is 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene.
What is the SMILES notation for 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene?
The canonical SMILES for 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene is CC=Cc1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene?
The InChIKey is LBLWNZCNNNMVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4/c1-2-3-17-8-9-18(20(23)19(17)22)16-6-4-14(5-7-16)15-10-12-21(24,25)13-11-15/h2-9,15H,10-13H2,1H3.
What are the key properties of 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene?
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene has a molecular weight of 348.38 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene is sourced from PubChem (CID 54024865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).