CID 101353997

C14H21F6NPSi2 — CID 101353997

IUPAC—
SMILESC[Si](C)(C)N([P]c1c(C(F)(F)F)cccc1C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C14H21F6NPSi2/c1-23(2,3)21(24(4,5)6)22-12-10(13(15,16)17)8-7-9-11(12)14(18,19)20/h7-9H,1-6H3
InChIKeyNIPBUUBMIYBNNU-UHFFFAOYSA-N
MW404.46 g/mol
LogP6.18
Rot. Bonds4

About CID 101353997

CID 101353997 (PubChem CID 101353997) has the molecular formula C14H21F6NPSi2 and a molecular weight of 404.46 g/mol.

Molecular Properties

Compound NameCID 101353997
PubChem CID101353997
Molecular FormulaC14H21F6NPSi2
Molecular Weight404.46 g/mol
Exact Mass404.09
IUPAC Name—
SMILESC[Si](C)(C)N([P]c1c(C(F)(F)F)cccc1C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C14H21F6NPSi2/c1-23(2,3)21(24(4,5)6)22-12-10(13(15,16)17)8-7-9-11(12)14(18,19)20/h7-9H,1-6H3
InChIKeyNIPBUUBMIYBNNU-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130953338
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
CID 12073570
[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
CID 115059690
[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane
CID 15031708
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
(6-methoxy-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanol
CID 103348149
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536
2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
CID 143122342
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566

Frequently Asked Questions

What is the IUPAC name of CID 101353997?
The IUPAC name of CID 101353997 (CID 101353997) is not available.
What is the SMILES notation for CID 101353997?
The canonical SMILES for CID 101353997 is C[Si](C)(C)N([P]c1c(C(F)(F)F)cccc1C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of CID 101353997?
The InChIKey is NIPBUUBMIYBNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6NPSi2/c1-23(2,3)21(24(4,5)6)22-12-10(13(15,16)17)8-7-9-11(12)14(18,19)20/h7-9H,1-6H3.
What are the key properties of CID 101353997?
CID 101353997 has a molecular weight of 404.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101353997 is sourced from PubChem (CID 101353997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).