(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene

C11H15FO — CID 89189819

IUPAC(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
SMILESCCC1=CC2=C(C[C@H]1F)OCCC2
InChIInChI=1S/C11H15FO/c1-2-8-6-9-4-3-5-13-11(9)7-10(8)12/h6,10H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyJVXFEJIOUPEWKH-SNVBAGLBSA-N
MW182.24 g/mol
LogP3.13
Rot. Bonds1

About (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene

(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 89189819) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
PubChem CID89189819
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
SMILESCCC1=CC2=C(C[C@H]1F)OCCC2
InChIInChI=1S/C11H15FO/c1-2-8-6-9-4-3-5-13-11(9)7-10(8)12/h6,10H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyJVXFEJIOUPEWKH-SNVBAGLBSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-3-methylenecyclohexene
CID 137710
(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene
CID 69346340
(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 71070317
(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene
CID 89011976
(7R)-6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 89247346
6-fluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 89247351
1-Ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene
CID 90997546
7,8-difluoro-2,6-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 124173859
1-Ethyl-4-(5,5,5-trifluoropentoxy)cyclohexa-1,3-diene
CID 129166872
1-Ethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 129209213
7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 129210684
2-Fluoro-1-methoxy-4-methylcyclohexa-1,3-diene
CID 130224498

Frequently Asked Questions

What is the IUPAC name of (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene (CID 89189819) is (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene is CCC1=CC2=C(C[C@H]1F)OCCC2.
What is the InChIKey of (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is JVXFEJIOUPEWKH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-8-6-9-4-3-5-13-11(9)7-10(8)12/h6,10H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene?
(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 182.24 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 (7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 89189819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).