2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C10H17FO — CID 66974845

IUPAC2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESFCC1CCC2CCCCC2O1
InChIInChI=1S/C10H17FO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h8-10H,1-7H2
InChIKeySAKLYEYILVCNMK-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.69
Rot. Bonds1

About 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 66974845) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID66974845
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESFCC1CCC2CCCCC2O1
InChIInChI=1S/C10H17FO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h8-10H,1-7H2
InChIKeySAKLYEYILVCNMK-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 566114
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(2S,4R)-2-cyclohexyl-4-fluorooxane
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(1R,4aS,8aS)-1-cyclohexyl-6-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154713783
(1R,4aS,8aS)-6-fluoro-1-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154716801
trans-2-Oxabicyclo[4.4.0]decane
CID 14065840
a-Cyclohexyltetrahydropyran
CID 15620793
7,8-difluoro-6-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 67989715
(2S,8aS)-6-fluoro-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 68177596
2-Cyclohexyl-4-fluorooxane
CID 73083100
6-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 89247479

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 66974845) is 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is FCC1CCC2CCCCC2O1.
What is the InChIKey of 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is SAKLYEYILVCNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h8-10H,1-7H2.
What are the key properties of 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 172.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 66974845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).