1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine

C9H9F12NO — CID 158136256

IUPAC1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
SMILESCN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F12NO/c1-22(9(19,20)21)5(11)7(14,15)3-23-2-6(12,13)4(10)8(16,17)18/h4-5H,2-3H2,1H3
InChIKeyYARMVYYUSODLGQ-UHFFFAOYSA-N
MW375.15 g/mol
LogP3.92
Rot. Bonds7

About 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine

1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine (PubChem CID 158136256) has the molecular formula C9H9F12NO and a molecular weight of 375.15 g/mol. Its IUPAC name is 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
PubChem CID158136256
Molecular FormulaC9H9F12NO
Molecular Weight375.15 g/mol
Exact Mass375.05
IUPAC Name1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
SMILESCN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F12NO/c1-22(9(19,20)21)5(11)7(14,15)3-23-2-6(12,13)4(10)8(16,17)18/h4-5H,2-3H2,1H3
InChIKeyYARMVYYUSODLGQ-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
CID 166445925
2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine
CID 13262943
3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-methoxy-N,N-bis(trifluoromethyl)propan-1-amine
CID 59366578
2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine
CID 88548450
4-(1,1-difluoropropoxy)-N,N-dimethylbutan-1-amine
CID 88900251
4-(1,1-difluoroethoxy)-N,N-dimethylbutan-1-amine
CID 90392456
1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)butan-2-amine
CID 130418346
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine
CID 130418395
1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N,N-bis(trifluoromethyl)propan-1-amine
CID 130418433
1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)propan-1-amine
CID 130418457
N,1,2,3,3,3-hexafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methylpropan-1-amine
CID 137474690

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine (CID 158136256) is 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine is CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The InChIKey is YARMVYYUSODLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F12NO/c1-22(9(19,20)21)5(11)7(14,15)3-23-2-6(12,13)4(10)8(16,17)18/h4-5H,2-3H2,1H3.
What are the key properties of 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine has a molecular weight of 375.15 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 158136256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).