1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol

C14H20FNO — CID 143088786

IUPAC1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol
SMILESCCC(O)(CCN)C1=C/CC(C)=C=C(F)/C=C\1
InChIInChI=1S/C14H20FNO/c1-3-14(17,8-9-16)12-5-4-11(2)10-13(15)7-6-12/h5-7,17H,3-4,8-9,16H2,1-2H3/b7-6-,12-5+
InChIKeyOXAUBHNFLRRRMB-BZNMCICSSA-N
MW237.32 g/mol
LogP2.76
Rot. Bonds4

About 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol

1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol (PubChem CID 143088786) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol.

Molecular Properties

Compound Name1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol
PubChem CID143088786
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol
SMILESCCC(O)(CCN)C1=C/CC(C)=C=C(F)/C=C\1
InChIInChI=1S/C14H20FNO/c1-3-14(17,8-9-16)12-5-4-11(2)10-13(15)7-6-12/h5-7,17H,3-4,8-9,16H2,1-2H3/b7-6-,12-5+
InChIKeyOXAUBHNFLRRRMB-BZNMCICSSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol with MolForge

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Related Compounds

2-(Aminomethyl)-5-fluoro-1-methylcyclohexa-2,4-dien-1-ol
CID 164012893
4-(2-Aminoethyl)cyclohexa-1,5-diene-1,4-diol
CID 129723838
ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
CID 142035452
3-Cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol
CID 142251385
1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol
CID 146308260
(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
CID 142035453

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol?
The IUPAC name of 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol (CID 143088786) is 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol.
What is the SMILES notation for 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol?
The canonical SMILES for 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol is CCC(O)(CCN)C1=C/CC(C)=C=C(F)/C=C\1.
What is the InChIKey of 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol?
The InChIKey is OXAUBHNFLRRRMB-BZNMCICSSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-14(17,8-9-16)12-5-4-11(2)10-13(15)7-6-12/h5-7,17H,3-4,8-9,16H2,1-2H3/b7-6-,12-5+.
What are the key properties of 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol?
1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol has a molecular weight of 237.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol is sourced from PubChem (CID 143088786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).