2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine

C10H10F5N — CID 43481495

IUPAC2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-16-8(7-5-3-2-4-6-7)9(11,12)10(13,14)15/h2-6,8,16H,1H3
InChIKeyJVYPICHPVXSBPA-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.14
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine

2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine (PubChem CID 43481495) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
PubChem CID43481495
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F5N/c1-16-8(7-5-3-2-4-6-7)9(11,12)10(13,14)15/h2-6,8,16H,1H3
InChIKeyJVYPICHPVXSBPA-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
(2,2,3,3,3-pentafluoro-1-phenylpropyl)carbamic acid
CID 57302331
2,2,3,3,3-pentafluoro-1-[4-(2-methoxyethyl)phenyl]-N-methylpropan-1-amine
CID 43482337
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
ethane;N-methyl-1-phenylethanamine
CID 91444453
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63195807
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
N,2-dimethyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79050725

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine (CID 43481495) is 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine?
The InChIKey is JVYPICHPVXSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-16-8(7-5-3-2-4-6-7)9(11,12)10(13,14)15/h2-6,8,16H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine?
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine has a molecular weight of 239.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43481495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).