ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene

C13H19FO — CID 143131950

IUPACethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC.CC1(C)CCc2cc(F)ccc2O1
InChIInChI=1S/C11H13FO.C2H6/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3
InChIKeyZIRFAWSLZCAMFQ-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.96
Rot. Bonds

About ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene

ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 143131950) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Nameethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
PubChem CID143131950
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Nameethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC.CC1(C)CCc2cc(F)ccc2O1
InChIInChI=1S/C11H13FO.C2H6/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3
InChIKeyZIRFAWSLZCAMFQ-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
CID 42129765
7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 171787942
8-bromo-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 23238946
CID 68879023
CID 68879023
2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
6-benzyl-2,2-dimethyl-3,4-dihydrochromene
CID 16729493
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol
CID 58400530
1-(2-chloro-6-fluoro-3,4-dihydrochromen-2-yl)propan-1-one
CID 174577415
(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
CID 84713972

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene (CID 143131950) is ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene is CC.CC1(C)CCc2cc(F)ccc2O1.
What is the InChIKey of ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is ZIRFAWSLZCAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO.C2H6/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3.
What are the key properties of ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 210.29 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 143131950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).