6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide

C12H10ClF10NO — CID 3525541

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C12H10ClF10NO/c1-3-5-24(6-4-2)7(25)8(14,15)9(16,17)10(18,19)11(20,21)12(13,22)23/h3-4H,1-2,5-6H2
InChIKeyNRFUULCIFMFARG-UHFFFAOYSA-N
MW409.65 g/mol
LogP4.56
Rot. Bonds9

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide (PubChem CID 3525541) has the molecular formula C12H10ClF10NO and a molecular weight of 409.65 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide
PubChem CID3525541
Molecular FormulaC12H10ClF10NO
Molecular Weight409.65 g/mol
Exact Mass409.03
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C12H10ClF10NO/c1-3-5-24(6-4-2)7(25)8(14,15)9(16,17)10(18,19)11(20,21)12(13,22)23/h3-4H,1-2,5-6H2
InChIKeyNRFUULCIFMFARG-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[bis(prop-2-enyl)amino]-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoic acid
CID 21156345
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dioctylhexanamide
CID 3387387
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
(11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl) 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecaneperoxoate
CID 22166240
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide (CID 3525541) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide is C=CCN(CC=C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide?
The InChIKey is NRFUULCIFMFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF10NO/c1-3-5-24(6-4-2)7(25)8(14,15)9(16,17)10(18,19)11(20,21)12(13,22)23/h3-4H,1-2,5-6H2.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide has a molecular weight of 409.65 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide is sourced from PubChem (CID 3525541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).