N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine

C11H5F11N2 — CID 101033012

IUPACN-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine
SMILESFC(F)(F)C(=C(Nc1ccccn1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F11N2/c12-8(13,11(20,21)22)7(24-5-3-1-2-4-23-5)6(9(14,15)16)10(17,18)19/h1-4H,(H,23,24)
InChIKeyNWMMPDSCNDDCHC-UHFFFAOYSA-N
MW374.15 g/mol
LogP5.07
Rot. Bonds3

About N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine

N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine (PubChem CID 101033012) has the molecular formula C11H5F11N2 and a molecular weight of 374.15 g/mol. Its IUPAC name is N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine
PubChem CID101033012
Molecular FormulaC11H5F11N2
Molecular Weight374.15 g/mol
Exact Mass374.03
IUPAC NameN-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine
SMILESFC(F)(F)C(=C(Nc1ccccn1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F11N2/c12-8(13,11(20,21)22)7(24-5-3-1-2-4-23-5)6(9(14,15)16)10(17,18)19/h1-4H,(H,23,24)
InChIKeyNWMMPDSCNDDCHC-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.15
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
CID 71672608
(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
CID 7084676
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940
N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]benzimidazole-1-carbothioamide
CID 2830734
pyridin-2-ylthiourea
CID 1490491
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
pyridine;N-pyridin-2-ylacetamide
CID 67298573
N-chloropyridin-2-amine
CID 22481248
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
N-[(3E)-2,2-dimethylhexa-3,5-dien-3-yl]pyridin-2-amine
CID 163939008
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine?
The IUPAC name of N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine (CID 101033012) is N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine?
The canonical SMILES for N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine is FC(F)(F)C(=C(Nc1ccccn1)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine?
The InChIKey is NWMMPDSCNDDCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F11N2/c12-8(13,11(20,21)22)7(24-5-3-1-2-4-23-5)6(9(14,15)16)10(17,18)19/h1-4H,(H,23,24).
What are the key properties of N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine?
N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine has a molecular weight of 374.15 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-amine is sourced from PubChem (CID 101033012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).