N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine

C7H10F5N — CID 160887286

IUPACN-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
SMILESCC(=CN(C)C(C)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F5N/c1-5(7(10,11)12)4-13(3)6(2,8)9/h4H,1-3H3
InChIKeySNUPKYZOLKWXLB-UHFFFAOYSA-N
MW203.15 g/mol
LogP3.00
Rot. Bonds2

About N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine

N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine (PubChem CID 160887286) has the molecular formula C7H10F5N and a molecular weight of 203.15 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
PubChem CID160887286
Molecular FormulaC7H10F5N
Molecular Weight203.15 g/mol
Exact Mass203.07
IUPAC NameN-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
SMILESCC(=CN(C)C(C)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F5N/c1-5(7(10,11)12)4-13(3)6(2,8)9/h4H,1-3H3
InChIKeySNUPKYZOLKWXLB-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The IUPAC name of N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine (CID 160887286) is N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine.
What is the SMILES notation for N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The canonical SMILES for N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine is CC(=CN(C)C(C)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The InChIKey is SNUPKYZOLKWXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5N/c1-5(7(10,11)12)4-13(3)6(2,8)9/h4H,1-3H3.
What are the key properties of N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine has a molecular weight of 203.15 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine is sourced from PubChem (CID 160887286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).