[difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane

C9H14F2NPS — CID 166735814

IUPAC[difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane
SMILESCCC(CC)c1cnc(C(F)(F)P)s1
InChIInChI=1S/C9H14F2NPS/c1-3-6(4-2)7-5-12-8(14-7)9(10,11)13/h5-6H,3-4,13H2,1-2H3
InChIKeyKKLGHIZPBWRGCR-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.97
Rot. Bonds4

About [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane

[difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane (PubChem CID 166735814) has the molecular formula C9H14F2NPS and a molecular weight of 237.25 g/mol. Its IUPAC name is [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane.

Molecular Properties

Compound Name[difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane
PubChem CID166735814
Molecular FormulaC9H14F2NPS
Molecular Weight237.25 g/mol
Exact Mass237.06
IUPAC Name[difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane
SMILESCCC(CC)c1cnc(C(F)(F)P)s1
InChIInChI=1S/C9H14F2NPS/c1-3-6(4-2)7-5-12-8(14-7)9(10,11)13/h5-6H,3-4,13H2,1-2H3
InChIKeyKKLGHIZPBWRGCR-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dipropylthiazole
CID 588151
2-Methyl-5-propylthiazole
CID 574547
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736278
5,5,5-Trifluoro-2-isocyano-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanenitrile
CID 57736381
2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
CID 58305844
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-Ethyl-2-(trifluoromethyl)thiazole
CID 70315826

Frequently Asked Questions

What is the IUPAC name of [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane?
The IUPAC name of [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane (CID 166735814) is [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane.
What is the SMILES notation for [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane?
The canonical SMILES for [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane is CCC(CC)c1cnc(C(F)(F)P)s1.
What is the InChIKey of [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane?
The InChIKey is KKLGHIZPBWRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2NPS/c1-3-6(4-2)7-5-12-8(14-7)9(10,11)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane?
[difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane has a molecular weight of 237.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane is sourced from PubChem (CID 166735814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).