(4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran

C11H13FO — CID 143673846

IUPAC(4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran
SMILESC[C@@H]1CCOC2=C1C=C(F)CC=C2
InChIInChI=1S/C11H13FO/c1-8-5-6-13-11-4-2-3-9(12)7-10(8)11/h2,4,7-8H,3,5-6H2,1H3/t8-/m1/s1
InChIKeyVHVSJWWQTQXSLJ-MRVPVSSYSA-N
MW180.22 g/mol
LogP3.11
Rot. Bonds

About (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran

(4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran (PubChem CID 143673846) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran.

Molecular Properties

Compound Name(4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran
PubChem CID143673846
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran
SMILESC[C@@H]1CCOC2=C1C=C(F)CC=C2
InChIInChI=1S/C11H13FO/c1-8-5-6-13-11-4-2-3-9(12)7-10(8)11/h2,4,7-8H,3,5-6H2,1H3/t8-/m1/s1
InChIKeyVHVSJWWQTQXSLJ-MRVPVSSYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran?
The IUPAC name of (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran (CID 143673846) is (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran.
What is the SMILES notation for (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran?
The canonical SMILES for (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran is C[C@@H]1CCOC2=C1C=C(F)CC=C2.
What is the InChIKey of (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran?
The InChIKey is VHVSJWWQTQXSLJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8-5-6-13-11-4-2-3-9(12)7-10(8)11/h2,4,7-8H,3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran?
(4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran has a molecular weight of 180.22 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-4-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyran is sourced from PubChem (CID 143673846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).