N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride

C10H18F4N2 — CID 12699878

IUPACN,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride
SMILESCC(C)(C)/N=C(\F)N(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F4N2/c1-8(2,3)15-7(11)16(9(4,5)6)10(12,13)14/h1-6H3/b15-7+
InChIKeyQIGQHKMSUWRZRW-VIZOYTHASA-N
MW242.26 g/mol
LogP3.73
Rot. Bonds

About N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride

N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride (PubChem CID 12699878) has the molecular formula C10H18F4N2 and a molecular weight of 242.26 g/mol. Its IUPAC name is N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride.

Molecular Properties

Compound NameN,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride
PubChem CID12699878
Molecular FormulaC10H18F4N2
Molecular Weight242.26 g/mol
Exact Mass242.14
IUPAC NameN,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride
SMILESCC(C)(C)/N=C(\F)N(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F4N2/c1-8(2,3)15-7(11)16(9(4,5)6)10(12,13)14/h1-6H3/b15-7+
InChIKeyQIGQHKMSUWRZRW-VIZOYTHASA-N
XLogP3.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride?
The IUPAC name of N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride (CID 12699878) is N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride.
What is the SMILES notation for N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride?
The canonical SMILES for N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride is CC(C)(C)/N=C(\F)N(C(C)(C)C)C(F)(F)F.
What is the InChIKey of N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride?
The InChIKey is QIGQHKMSUWRZRW-VIZOYTHASA-N. The full InChI is InChI=1S/C10H18F4N2/c1-8(2,3)15-7(11)16(9(4,5)6)10(12,13)14/h1-6H3/b15-7+.
What are the key properties of N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride?
N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride has a molecular weight of 242.26 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride is sourced from PubChem (CID 12699878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).