1,1,2,2,2-pentafluoro-N-methylethanamine

C3H4F5N — CID 23236127

IUPAC1,1,2,2,2-pentafluoro-N-methylethanamine
SMILESCNC(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5N/c1-9-3(7,8)2(4,5)6/h9H,1H3
InChIKeyXXSNUYPFIVQRIF-UHFFFAOYSA-N
MW149.06 g/mol
LogP1.36
Rot. Bonds1

About 1,1,2,2,2-pentafluoro-N-methylethanamine

1,1,2,2,2-pentafluoro-N-methylethanamine (PubChem CID 23236127) has the molecular formula C3H4F5N and a molecular weight of 149.06 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-methylethanamine.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-methylethanamine
PubChem CID23236127
Molecular FormulaC3H4F5N
Molecular Weight149.06 g/mol
Exact Mass149.03
IUPAC Name1,1,2,2,2-pentafluoro-N-methylethanamine
SMILESCNC(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5N/c1-9-3(7,8)2(4,5)6/h9H,1H3
InChIKeyXXSNUYPFIVQRIF-UHFFFAOYSA-N
XLogP1.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.06
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-N,N'-dimethylethane-1,2-diamine
CID 87847662
1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol
CID 174494123
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine
CID 87786735
1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine
CID 87847871
1,1,1,2,3,3-hexafluoro-N-methylbutan-2-amine
CID 170343453
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
1,1-difluoro-1-methoxy-N-methylmethanamine
CID 154364961
N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylamino)propyl]octanamide
CID 162538905
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730
N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine
CID 23233324
N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine
CID 167208038
N-[diamino(ethyl)silyl]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 151582040

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-methylethanamine?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-methylethanamine (CID 23236127) is 1,1,2,2,2-pentafluoro-N-methylethanamine.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-methylethanamine?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-methylethanamine is CNC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-methylethanamine?
The InChIKey is XXSNUYPFIVQRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5N/c1-9-3(7,8)2(4,5)6/h9H,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-methylethanamine?
1,1,2,2,2-pentafluoro-N-methylethanamine has a molecular weight of 149.06 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-methylethanamine is sourced from PubChem (CID 23236127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).