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

C14H19FO — CID 151913158

IUPAC6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
SMILESCCCCCC1COc2ccc(F)cc2C1
InChIInChI=1S/C14H19FO/c1-2-3-4-5-11-8-12-9-13(15)6-7-14(12)16-10-11/h6-7,9,11H,2-5,8,10H2,1H3
InChIKeySVEYYZOJFVYVRN-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.96
Rot. Bonds4

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

6-fluoro-3-pentyl-3,4-dihydro-2H-chromene (PubChem CID 151913158) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
PubChem CID151913158
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
SMILESCCCCCC1COc2ccc(F)cc2C1
InChIInChI=1S/C14H19FO/c1-2-3-4-5-11-8-12-9-13(15)6-7-14(12)16-10-11/h6-7,9,11H,2-5,8,10H2,1H3
InChIKeySVEYYZOJFVYVRN-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene-7-carbaldehyde;(6-fluoro-3-pentyl-3,4-dihydro-2H-chromen-7-yl)methanol
CID 157427386
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
7-(bromomethyl)-6-fluoro-3-pentyl-3,4-dihydro-2H-chromene;(6-fluoro-3-pentyl-3,4-dihydro-2H-chromen-7-yl)methyl-triphenylphosphanium;bromide
CID 158654096
6-fluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139866089
6-fluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139867557
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
CID 105496645
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
6-fluoro-3-nitro-3,4-dihydro-2H-chromene
CID 55268431
9,10-difluoro-3-pentyl-8-(4-propylphenyl)-3,4-dihydro-2H-benzo[h]chromene
CID 59227707

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene (CID 151913158) is 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene is CCCCCC1COc2ccc(F)cc2C1.
What is the InChIKey of 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene?
The InChIKey is SVEYYZOJFVYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-2-3-4-5-11-8-12-9-13(15)6-7-14(12)16-10-11/h6-7,9,11H,2-5,8,10H2,1H3.
What are the key properties of 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene?
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene has a molecular weight of 222.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-pentyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 151913158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).