N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide

C11H16F3NO — CID 89215063

IUPACN-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide
SMILESC=CC[C@@](C)(/C=C\CC(F)(F)F)CNC=O
InChIInChI=1S/C11H16F3NO/c1-3-5-10(2,8-15-9-16)6-4-7-11(12,13)14/h3-4,6,9H,1,5,7-8H2,2H3,(H,15,16)/b6-4-/t10-/m0/s1
InChIKeyBJBVOENBULYMIC-OAQKJQOQSA-N
MW235.25 g/mol
LogP2.82
Rot. Bonds7

About N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide

N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide (PubChem CID 89215063) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide.

Molecular Properties

Compound NameN-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide
PubChem CID89215063
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide
SMILESC=CC[C@@](C)(/C=C\CC(F)(F)F)CNC=O
InChIInChI=1S/C11H16F3NO/c1-3-5-10(2,8-15-9-16)6-4-7-11(12,13)14/h3-4,6,9H,1,5,7-8H2,2H3,(H,15,16)/b6-4-/t10-/m0/s1
InChIKeyBJBVOENBULYMIC-OAQKJQOQSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide?
The IUPAC name of N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide (CID 89215063) is N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide.
What is the SMILES notation for N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide?
The canonical SMILES for N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide is C=CC[C@@](C)(/C=C\CC(F)(F)F)CNC=O.
What is the InChIKey of N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide?
The InChIKey is BJBVOENBULYMIC-OAQKJQOQSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-3-5-10(2,8-15-9-16)6-4-7-11(12,13)14/h3-4,6,9H,1,5,7-8H2,2H3,(H,15,16)/b6-4-/t10-/m0/s1.
What are the key properties of N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide?
N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide has a molecular weight of 235.25 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2S)-6,6,6-trifluoro-2-methyl-2-prop-2-enylhex-3-enyl]formamide is sourced from PubChem (CID 89215063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).