6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile

C10H8FNO — CID 14339430

IUPAC6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#CC1CCOc2ccc(F)cc21
InChIInChI=1S/C10H8FNO/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7H,3-4H2
InChIKeyJDFQNZDJDTWUBM-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.22
Rot. Bonds

About 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile

6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile (PubChem CID 14339430) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile
PubChem CID14339430
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#CC1CCOc2ccc(F)cc21
InChIInChI=1S/C10H8FNO/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7H,3-4H2
InChIKeyJDFQNZDJDTWUBM-UHFFFAOYSA-N
XLogP2.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Flavan
CID 94156
2H-1-Benzopyran-3-carbonitrile
CID 42438
3-benzyl-3,4-dihydro-2H-chromene
CID 15331838
2-Ethoxybenzonitrile
CID 576922
(2-Methoxyphenyl)acetonitrile
CID 81496
3-Benzyloxyphenylacetonitrile
CID 519831
2-(Benzyloxy)benzonitrile
CID 2064024
Chroman
CID 136319
Isoflavan
CID 500472
2-[4-(3-Methylbut-2-enoxy)phenyl]acetonitrile
CID 5315425
4,4-Dimethylchroman
CID 316763
2-Fluoro-6-(4-methylphenoxy)benzonitrile
CID 2737395

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile (CID 14339430) is 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile is N#CC1CCOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile?
The InChIKey is JDFQNZDJDTWUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7H,3-4H2.
What are the key properties of 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile?
6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile has a molecular weight of 177.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-chromene-4-carbonitrile is sourced from PubChem (CID 14339430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).