N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid

C10H18F5NO2 — CID 175215042

IUPACN-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid
SMILESCC(C)N(C)C(C)C.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H17N.C3HF5O2/c1-6(2)8(5)7(3)4;4-2(5,1(9)10)3(6,7)8/h6-7H,1-5H3;(H,9,10)
InChIKeyJXVBDAXBSQAMQE-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.00
Rot. Bonds3

About N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid

N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 175215042) has the molecular formula C10H18F5NO2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID175215042
Molecular FormulaC10H18F5NO2
Molecular Weight279.25 g/mol
Exact Mass279.13
IUPAC NameN-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid
SMILESCC(C)N(C)C(C)C.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H17N.C3HF5O2/c1-6(2)8(5)7(3)4;4-2(5,1(9)10)3(6,7)8/h6-7H,1-5H3;(H,9,10)
InChIKeyJXVBDAXBSQAMQE-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 12210277
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CID 23374836
N,N-dipropylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 85804201
N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
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Tetraethylammonium trifluoroacetate, 98%
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Tetraethylazanium;3,3,3-trifluoropropanoate
CID 140155435
N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 159791667
N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid
CID 171925784
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
4,4,4-Trifluoro-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 55146719
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60840497

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid (CID 175215042) is N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid is CC(C)N(C)C(C)C.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is JXVBDAXBSQAMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C3HF5O2/c1-6(2)8(5)7(3)4;4-2(5,1(9)10)3(6,7)8/h6-7H,1-5H3;(H,9,10).
What are the key properties of N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid?
N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 279.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 175215042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).