1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane

C15H18BrF5Si — CID 54200175

IUPAC1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane
SMILESFc1cc(C2CC[SiH](CCCBr)CC2)cc(F)c1C(F)(F)F
InChIInChI=1S/C15H18BrF5Si/c16-4-1-5-22-6-2-10(3-7-22)11-8-12(17)14(13(18)9-11)15(19,20)21/h8-10,22H,1-7H2
InChIKeyPORCWZCOBUNTSJ-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.87
Rot. Bonds4

About 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane

1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane (PubChem CID 54200175) has the molecular formula C15H18BrF5Si and a molecular weight of 401.29 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane
PubChem CID54200175
Molecular FormulaC15H18BrF5Si
Molecular Weight401.29 g/mol
Exact Mass400.03
IUPAC Name1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane
SMILESFc1cc(C2CC[SiH](CCCBr)CC2)cc(F)c1C(F)(F)F
InChIInChI=1S/C15H18BrF5Si/c16-4-1-5-22-6-2-10(3-7-22)11-8-12(17)14(13(18)9-11)15(19,20)21/h8-10,22H,1-7H2
InChIKeyPORCWZCOBUNTSJ-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 19039186
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
1,3-difluoro-5-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 54517135
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
1,3-difluoro-5-[4-[2-[4-[(E)-hept-5-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67588902
4-[2-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54452078
5-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54047120
5-[4-[2-(4-decylcyclohexyl)ethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54260786
1,3-difluoro-5-[4-[2-[4-(3-methylpentyl)cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 22373797

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane?
The IUPAC name of 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane (CID 54200175) is 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane.
What is the SMILES notation for 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane?
The canonical SMILES for 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane is Fc1cc(C2CC[SiH](CCCBr)CC2)cc(F)c1C(F)(F)F.
What is the InChIKey of 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane?
The InChIKey is PORCWZCOBUNTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF5Si/c16-4-1-5-22-6-2-10(3-7-22)11-8-12(17)14(13(18)9-11)15(19,20)21/h8-10,22H,1-7H2.
What are the key properties of 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane?
1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane has a molecular weight of 401.29 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane is sourced from PubChem (CID 54200175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).