1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine

C7H7F10N — CID 12661112

IUPAC1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
SMILESCN(C)C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F10N/c1-18(2)3(8)4(5(9,10)11,6(12,13)14)7(15,16)17/h3H,1-2H3
InChIKeyNDWXXRNYDZRUNQ-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.52
Rot. Bonds2

About 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine

1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine (PubChem CID 12661112) has the molecular formula C7H7F10N and a molecular weight of 295.12 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
PubChem CID12661112
Molecular FormulaC7H7F10N
Molecular Weight295.12 g/mol
Exact Mass295.04
IUPAC Name1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
SMILESCN(C)C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F10N/c1-18(2)3(8)4(5(9,10)11,6(12,13)14)7(15,16)17/h3H,1-2H3
InChIKeyNDWXXRNYDZRUNQ-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.52
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 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
The IUPAC name of 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine (CID 12661112) is 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine is CN(C)C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
The InChIKey is NDWXXRNYDZRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F10N/c1-18(2)3(8)4(5(9,10)11,6(12,13)14)7(15,16)17/h3H,1-2H3.
What are the key properties of 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine has a molecular weight of 295.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 12661112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).