4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine

C6H8F5NO — CID 89359164

IUPAC4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine
SMILESC=C(N)C(OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-3(12)4(13-2)5(7,8)6(9,10)11/h4H,1,12H2,2H3
InChIKeyDRLGNUGJSGKCPT-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.67
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine

4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine (PubChem CID 89359164) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine
PubChem CID89359164
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine
SMILESC=C(N)C(OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-3(12)4(13-2)5(7,8)6(9,10)11/h4H,1,12H2,2H3
InChIKeyDRLGNUGJSGKCPT-UHFFFAOYSA-N
XLogP1.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.67
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

1,1-dimethoxyethane;2-methylprop-2-enamide
CID 158750658
2-methoxy-3,3-dimethylbutanamide
CID 87392254
ethyl 3,3,3-trifluoro-2-methoxypropanoate
CID 22913356
4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene
CID 139751233
2-methoxy-N',3,3-trimethylbutanimidamide
CID 116732318
1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol
CID 167070111
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
[(2S)-3,3,4,4,4-pentafluorobutan-2-yl] 2-methylpropanoate
CID 153060888
1-methoxy-3-(trifluoromethyl)but-3-en-2-ol
CID 130564685
3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide
CID 87371239
[3,3,4,4,4-pentafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)butyl] 2-methylprop-2-enoate
CID 102083174
2,2,2-trifluoro-1-methoxyethanol
CID 9892

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine?
The IUPAC name of 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine (CID 89359164) is 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine?
The canonical SMILES for 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine is C=C(N)C(OC)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine?
The InChIKey is DRLGNUGJSGKCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c1-3(12)4(13-2)5(7,8)6(9,10)11/h4H,1,12H2,2H3.
What are the key properties of 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine?
4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine has a molecular weight of 205.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-3-methoxypent-1-en-2-amine is sourced from PubChem (CID 89359164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).