(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol

C14H24FNO2 — CID 143418544

IUPAC(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
SMILESC/C=C\C(=C/C=C(\C)C[C@H](N)CF)CC(O)CO
InChIInChI=1S/C14H24FNO2/c1-3-4-12(8-14(18)10-17)6-5-11(2)7-13(16)9-15/h3-6,13-14,17-18H,7-10,16H2,1-2H3/b4-3-,11-5+,12-6+/t13-,14?/m0/s1
InChIKeyQCXXBXYDLCPMDU-CNMHHUQNSA-N
MW257.35 g/mol
LogP1.87
Rot. Bonds8

About (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol

(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol (PubChem CID 143418544) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol.

Molecular Properties

Compound Name(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
PubChem CID143418544
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
SMILESC/C=C\C(=C/C=C(\C)C[C@H](N)CF)CC(O)CO
InChIInChI=1S/C14H24FNO2/c1-3-4-12(8-14(18)10-17)6-5-11(2)7-13(16)9-15/h3-6,13-14,17-18H,7-10,16H2,1-2H3/b4-3-,11-5+,12-6+/t13-,14?/m0/s1
InChIKeyQCXXBXYDLCPMDU-CNMHHUQNSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(3S,4S,5R,7E,9E,12E)-3-aminopentadeca-7,9,12-triene-4,5-diol
CID 129119845
(Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol
CID 143077542
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane
CID 143418543
(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol
CID 146226418
(4Z,5Z)-2-amino-4-prop-2-enylideneocta-5,7-dien-1-ol;ethane
CID 155738566
3-Amino-4-cyclohexa-1,5-dien-1-ylbutane-1,2-diol
CID 166117765
3-Aminopentadeca-7,9,12-triene-4,5-diol
CID 139291179
(4E,6E,8E)-2-amino-8-ethenyl-4,7-dimethylundeca-4,6,8,10-tetraen-1-ol
CID 141882976

Frequently Asked Questions

What is the IUPAC name of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol?
The IUPAC name of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol (CID 143418544) is (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol.
What is the SMILES notation for (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol?
The canonical SMILES for (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol is C/C=C\C(=C/C=C(\C)C[C@H](N)CF)CC(O)CO.
What is the InChIKey of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol?
The InChIKey is QCXXBXYDLCPMDU-CNMHHUQNSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-3-4-12(8-14(18)10-17)6-5-11(2)7-13(16)9-15/h3-6,13-14,17-18H,7-10,16H2,1-2H3/b4-3-,11-5+,12-6+/t13-,14?/m0/s1.
What are the key properties of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol?
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol has a molecular weight of 257.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol is sourced from PubChem (CID 143418544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).