N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide

C10H14FNO — CID 88935034

IUPACN-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
SMILESC/C=C\C(=C/C=C/F)[C@@H](C)NC=O
InChIInChI=1S/C10H14FNO/c1-3-5-10(6-4-7-11)9(2)12-8-13/h3-9H,1-2H3,(H,12,13)/b5-3-,7-4+,10-6+/t9-/m1/s1
InChIKeyYBLRUPIWTYLDBW-KRVQRSGWSA-N
MW183.23 g/mol
LogP2.11
Rot. Bonds5

About N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide

N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide (PubChem CID 88935034) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
PubChem CID88935034
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
SMILESC/C=C\C(=C/C=C/F)[C@@H](C)NC=O
InChIInChI=1S/C10H14FNO/c1-3-5-10(6-4-7-11)9(2)12-8-13/h3-9H,1-2H3,(H,12,13)/b5-3-,7-4+,10-6+/t9-/m1/s1
InChIKeyYBLRUPIWTYLDBW-KRVQRSGWSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide?
The IUPAC name of N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide (CID 88935034) is N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide.
What is the SMILES notation for N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide?
The canonical SMILES for N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide is C/C=C\C(=C/C=C/F)[C@@H](C)NC=O.
What is the InChIKey of N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide?
The InChIKey is YBLRUPIWTYLDBW-KRVQRSGWSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-5-10(6-4-7-11)9(2)12-8-13/h3-9H,1-2H3,(H,12,13)/b5-3-,7-4+,10-6+/t9-/m1/s1.
What are the key properties of N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide?
N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide has a molecular weight of 183.23 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide is sourced from PubChem (CID 88935034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).