2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene

C12H15FO — CID 123890695

IUPAC2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene
SMILESFC1=CCC2OC(C3CC3)CCC2=C1
InChIInChI=1S/C12H15FO/c13-10-4-6-12-9(7-10)3-5-11(14-12)8-1-2-8/h4,7-8,11-12H,1-3,5-6H2
InChIKeyYWXWZIBXOYJVLP-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.13
Rot. Bonds1

About 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene

2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene (PubChem CID 123890695) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene
PubChem CID123890695
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene
SMILESFC1=CCC2OC(C3CC3)CCC2=C1
InChIInChI=1S/C12H15FO/c13-10-4-6-12-9(7-10)3-5-11(14-12)8-1-2-8/h4,7-8,11-12H,1-3,5-6H2
InChIKeyYWXWZIBXOYJVLP-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene 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

7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene
CID 58234123
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 58787098
6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 68066145
6-Fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene
CID 70305231
8-Fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
CID 71170245
9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
CID 71170261
6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247366
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247368
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
(6R)-6-cyclopropyl-4-ethyl-1-[(4R)-4-fluorocyclohexen-1-yl]-3-propan-2-yloxycyclohexene
CID 118018348
(2S)-2-(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxane
CID 132080865
5-Methyl-2-(5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-dien-1-yl)oxane
CID 137537915

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene?
The IUPAC name of 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene (CID 123890695) is 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene?
The canonical SMILES for 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene is FC1=CCC2OC(C3CC3)CCC2=C1.
What is the InChIKey of 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene?
The InChIKey is YWXWZIBXOYJVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c13-10-4-6-12-9(7-10)3-5-11(14-12)8-1-2-8/h4,7-8,11-12H,1-3,5-6H2.
What are the key properties of 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene?
2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene has a molecular weight of 194.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-3,4,8,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 123890695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).