6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile

C14H14FNO2 — CID 170281547

IUPAC6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile
SMILESC=C1c2cc(F)c(CO)cc2OC(C)C1(C)C#N
InChIInChI=1S/C14H14FNO2/c1-8-11-5-12(15)10(6-17)4-13(11)18-9(2)14(8,3)7-16/h4-5,9,17H,1,6H2,2-3H3
InChIKeyFYWTVHWMOWPYCI-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.64
Rot. Bonds1

About 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile

6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile (PubChem CID 170281547) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile
PubChem CID170281547
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile
SMILESC=C1c2cc(F)c(CO)cc2OC(C)C1(C)C#N
InChIInChI=1S/C14H14FNO2/c1-8-11-5-12(15)10(6-17)4-13(11)18-9(2)14(8,3)7-16/h4-5,9,17H,1,6H2,2-3H3
InChIKeyFYWTVHWMOWPYCI-UHFFFAOYSA-N
XLogP2.64
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile
CID 170065780
(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol
CID 171048888
5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
3-fluoro-4-hydroxy-5-(hydroxymethyl)benzonitrile
CID 131537406
[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 142503568
2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol
CID 117279735
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
6-fluoro-4-(hydroxymethyl)-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 168942459
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol
CID 89468618
2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 175452191
2-(hydroxymethyl)-4,5-dimethylbenzonitrile
CID 131610761

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile?
The IUPAC name of 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile (CID 170281547) is 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile.
What is the SMILES notation for 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile?
The canonical SMILES for 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile is C=C1c2cc(F)c(CO)cc2OC(C)C1(C)C#N.
What is the InChIKey of 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile?
The InChIKey is FYWTVHWMOWPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-8-11-5-12(15)10(6-17)4-13(11)18-9(2)14(8,3)7-16/h4-5,9,17H,1,6H2,2-3H3.
What are the key properties of 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile?
6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile has a molecular weight of 247.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile is sourced from PubChem (CID 170281547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).