4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile

C12H10FNO2 — CID 170065780

IUPAC4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile
SMILESN#Cc1c(F)cc(CO)c2c1OC1CC1C2
InChIInChI=1S/C12H10FNO2/c13-10-2-7(5-15)8-1-6-3-11(6)16-12(8)9(10)4-14/h2,6,11,15H,1,3,5H2
InChIKeyHFLKRSLCCHBQEW-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.51
Rot. Bonds1

About 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile

4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile (PubChem CID 170065780) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile.

Molecular Properties

Compound Name4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile
PubChem CID170065780
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Name4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile
SMILESN#Cc1c(F)cc(CO)c2c1OC1CC1C2
InChIInChI=1S/C12H10FNO2/c13-10-2-7(5-15)8-1-6-3-11(6)16-12(8)9(10)4-14/h2,6,11,15H,1,3,5H2
InChIKeyHFLKRSLCCHBQEW-UHFFFAOYSA-N
XLogP1.51
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-4-(hydroxymethyl)-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 168942459
2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 175452191
4-bromo-6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 168942530
methyl 7-cyano-6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-4-carboxylate
CID 168942506
methyl 4-cyano-3-fluoro-5-(hydroxymethyl)benzoate
CID 131530370
5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
CID 148649310
CID 168942486
CID 168942486
6-fluoro-7-(hydroxymethyl)-2,3-dimethyl-4-methylidene-2H-chromene-3-carbonitrile
CID 170281547
3-fluoro-4-hydroxy-5-(hydroxymethyl)benzonitrile
CID 131537406
2-(hydroxymethyl)-4,5-dimethylbenzonitrile
CID 131610761
2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile
CID 169453655

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile?
The IUPAC name of 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile (CID 170065780) is 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile.
What is the SMILES notation for 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile?
The canonical SMILES for 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile is N#Cc1c(F)cc(CO)c2c1OC1CC1C2.
What is the InChIKey of 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile?
The InChIKey is HFLKRSLCCHBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-2-7(5-15)8-1-6-3-11(6)16-12(8)9(10)4-14/h2,6,11,15H,1,3,5H2.
What are the key properties of 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile?
4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile has a molecular weight of 219.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile is sourced from PubChem (CID 170065780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).