(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide

C10H17F2NO — CID 166767269

IUPAC(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
SMILESC/C=C/CC(F)(F)C(=O)NCC(C)C
InChIInChI=1S/C10H17F2NO/c1-4-5-6-10(11,12)9(14)13-7-8(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+
InChIKeyWVABPTABYBRCQM-SNAWJCMRSA-N
MW205.25 g/mol
LogP2.36
Rot. Bonds5

About (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide

(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide (PubChem CID 166767269) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
PubChem CID166767269
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
SMILESC/C=C/CC(F)(F)C(=O)NCC(C)C
InChIInChI=1S/C10H17F2NO/c1-4-5-6-10(11,12)9(14)13-7-8(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+
InChIKeyWVABPTABYBRCQM-SNAWJCMRSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,11Z,14Z)-N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide
CID 10500320
(4Z,7Z,10Z,13Z,16Z,19Z)-N-propyldocosa-4,7,10,13,16,19-hexaenamide
CID 89501917
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide
CID 34273070
N-(2-methylpropyl)pent-4-enamide
CID 12153716
N-butyl-2-methylpent-4-enamide
CID 86208811
N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 126786058
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
2,2-difluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 9951126
2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
CID 22418689
N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide
CID 54035364
2,2,2-trifluoro-N-(4-methylpent-2-enyl)acetamide
CID 54345745
N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
CID 89073491

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide (CID 166767269) is (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide is C/C=C/CC(F)(F)C(=O)NCC(C)C.
What is the InChIKey of (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is WVABPTABYBRCQM-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-4-5-6-10(11,12)9(14)13-7-8(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+.
What are the key properties of (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide?
(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide has a molecular weight of 205.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 166767269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).