6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene

C11H14F2O — CID 166655283

IUPAC6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene
SMILESFC(F)CC1=CC2CCCOC2C=C1
InChIInChI=1S/C11H14F2O/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-14-10/h3-4,6,9-11H,1-2,5,7H2
InChIKeyYEKOHZIHHXXDRC-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.93
Rot. Bonds2

About 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene

6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene (PubChem CID 166655283) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene
PubChem CID166655283
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene
SMILESFC(F)CC1=CC2CCCOC2C=C1
InChIInChI=1S/C11H14F2O/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-14-10/h3-4,6,9-11H,1-2,5,7H2
InChIKeyYEKOHZIHHXXDRC-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86077588
3-(1-Cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077592
3-(Trifluoromethyl)tetrahydrocumaron
CID 129708512
Tetrahydrobenzo[b]pyran
CID 15824515
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
2-[Difluoro-(4-methylcyclohexa-2,4-dien-1-yl)oxymethyl]-5-methyloxane
CID 143646705
7,8-Difluoro-2,6,8a-trimethyl-2,3,4,4a-tetrahydrochromene
CID 145333309
5-(Cyclohexen-1-yloxy)-2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 163649782
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CID 164020020

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene?
The IUPAC name of 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene (CID 166655283) is 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene?
The canonical SMILES for 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene is FC(F)CC1=CC2CCCOC2C=C1.
What is the InChIKey of 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene?
The InChIKey is YEKOHZIHHXXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-14-10/h3-4,6,9-11H,1-2,5,7H2.
What are the key properties of 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene?
6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene has a molecular weight of 200.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-3,4,4a,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 166655283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).