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

C7H8F9N — CID 12655951

IUPAC3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
SMILESCN(C)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c1-17(2)3-4(5(8,9)10,6(11,12)13)7(14,15)16/h3H2,1-2H3
InChIKeyKGZMRBOLTDDTFS-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.22
Rot. Bonds2

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

3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine (PubChem CID 12655951) has the molecular formula C7H8F9N and a molecular weight of 277.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
PubChem CID12655951
Molecular FormulaC7H8F9N
Molecular Weight277.13 g/mol
Exact Mass277.05
IUPAC Name3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
SMILESCN(C)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c1-17(2)3-4(5(8,9)10,6(11,12)13)7(14,15)16/h3H2,1-2H3
InChIKeyKGZMRBOLTDDTFS-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
CID 136149
2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 10725976
(Heptafluoroisopropyl)trimethylamine
CID 12655947
(Heptafluoroisopropyl)trimethylamine hydrochloride
CID 12655948
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
1,1-Difluoro-n,n,2,2-tetramethyl-1-propanamine
CID 10261262
Trimethyl(2,2,3,3,3-pentafluoropropyl)azanium iodide
CID 15105657
(2R)-N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
CID 7158835
1,3,3,3-tetrafluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine
CID 12661112
3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine
CID 23271690
N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
CID 5092161
1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 11964067

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine (CID 12655951) is 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine is CN(C)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
The InChIKey is KGZMRBOLTDDTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9N/c1-17(2)3-4(5(8,9)10,6(11,12)13)7(14,15)16/h3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine has a molecular weight of 277.13 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dimethyl-2,2-bis(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 12655951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).