(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene

C11H17FO — CID 89247416

IUPAC(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESCC1COC2=C(C1)C[C@H](F)[C@H](C)C2
InChIInChI=1S/C11H17FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-,10+/m1/s1
InChIKeyPKDJKLWSKHAEOV-VWHDNNRLSA-N
MW184.25 g/mol
LogP3.06
Rot. Bonds

About (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene

(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene (PubChem CID 89247416) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene.

Molecular Properties

Compound Name(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
PubChem CID89247416
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESCC1COC2=C(C1)C[C@H](F)[C@H](C)C2
InChIInChI=1S/C11H17FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-,10+/m1/s1
InChIKeyPKDJKLWSKHAEOV-VWHDNNRLSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The IUPAC name of (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene (CID 89247416) is (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene.
What is the SMILES notation for (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The canonical SMILES for (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene is CC1COC2=C(C1)C[C@H](F)[C@H](C)C2.
What is the InChIKey of (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The InChIKey is PKDJKLWSKHAEOV-VWHDNNRLSA-N. The full InChI is InChI=1S/C11H17FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-,10+/m1/s1.
What are the key properties of (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene?
(6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene has a molecular weight of 184.25 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-6-fluoro-3,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene is sourced from PubChem (CID 89247416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).