[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol

C12H12FNO — CID 170707361

IUPAC[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol
SMILESC=C/C(F)=C(\N=C)c1ccc(CO)cc1
InChIInChI=1S/C12H12FNO/c1-3-11(13)12(14-2)10-6-4-9(8-15)5-7-10/h3-7,15H,1-2,8H2/b12-11+
InChIKeyFWOZGYPRPQIMLN-VAWYXSNFSA-N
MW205.23 g/mol
LogP2.70
Rot. Bonds4

About [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol

[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol (PubChem CID 170707361) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol
PubChem CID170707361
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol
SMILESC=C/C(F)=C(\N=C)c1ccc(CO)cc1
InChIInChI=1S/C12H12FNO/c1-3-11(13)12(14-2)10-6-4-9(8-15)5-7-10/h3-7,15H,1-2,8H2/b12-11+
InChIKeyFWOZGYPRPQIMLN-VAWYXSNFSA-N
XLogP2.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-(Aminomethyl)phenyl]methanol
CID 6496943
{4-[(Dimethylamino)methyl]phenyl}methanol
CID 16495025
(4-(Aminomethyl)phenyl)methanol hydrochloride
CID 46738133
[4-(Aminomethyl)-2-fluorophenyl]methanol
CID 43165042
[4-(Aminomethyl)-3-fluorophenyl]methanol
CID 68453663
(4-(Aminomethyl)-2-fluorophenyl)methanol hydrochloride
CID 71757349
[4-(Aminomethyl)-3-fluorophenyl]methanol hydrochloride
CID 165947644
(4-(Aminomethyl)-3,5-difluorophenyl)methanol
CID 178253258
Phenylmethanolisocyanate
CID 21494127
Hydroxybenzylisothiocyanat
CID 87060591
4-[N-(2-Fluoroethyl)-N-methylaminomethyl]benzyl alcohol
CID 58767200
[4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methanol
CID 67046264

Frequently Asked Questions

What is the IUPAC name of [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol?
The IUPAC name of [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol (CID 170707361) is [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol.
What is the SMILES notation for [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol?
The canonical SMILES for [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol is C=C/C(F)=C(\N=C)c1ccc(CO)cc1.
What is the InChIKey of [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol?
The InChIKey is FWOZGYPRPQIMLN-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H12FNO/c1-3-11(13)12(14-2)10-6-4-9(8-15)5-7-10/h3-7,15H,1-2,8H2/b12-11+.
What are the key properties of [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol?
[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol has a molecular weight of 205.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol is sourced from PubChem (CID 170707361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).