3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine

C10H12F11NO — CID 161179986

IUPAC3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine
SMILESCC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H12F11NO/c1-5(22(2)10(19,20)21)7(12,13)3-23-4-8(14,15)6(11)9(16,17)18/h5-6H,3-4H2,1-2H3
InChIKeyGOHXHYDKSBKVGP-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.01
Rot. Bonds7

About 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine

3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine (PubChem CID 161179986) has the molecular formula C10H12F11NO and a molecular weight of 371.19 g/mol. Its IUPAC name is 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine
PubChem CID161179986
Molecular FormulaC10H12F11NO
Molecular Weight371.19 g/mol
Exact Mass371.07
IUPAC Name3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine
SMILESCC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H12F11NO/c1-5(22(2)10(19,20)21)7(12,13)3-23-4-8(14,15)6(11)9(16,17)18/h5-6H,3-4H2,1-2H3
InChIKeyGOHXHYDKSBKVGP-UHFFFAOYSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 54.01
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

3-methoxy-N,N-bis(trifluoromethyl)propan-1-amine
CID 59366578
1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)butan-2-amine
CID 130418346
1-[1,1,1,3,3-Pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine
CID 130418358
1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)pentan-2-amine
CID 130418408
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,1,1,1,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methylpentan-2-amine
CID 137474496
N,1,2,3,3,3-hexafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methylpropan-1-amine
CID 137474690
N,1,2,2-tetrafluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methylpropan-1-amine
CID 137474692
N,1,1,1,3,3-hexafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methylbutan-2-amine
CID 137474693
1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine
CID 145366165
3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
CID 170216374

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine?
The IUPAC name of 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine (CID 161179986) is 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine is CC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine?
The InChIKey is GOHXHYDKSBKVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F11NO/c1-5(22(2)10(19,20)21)7(12,13)3-23-4-8(14,15)6(11)9(16,17)18/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine?
3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine has a molecular weight of 371.19 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 161179986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).