2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C17H28F2 — CID 142971586

IUPAC2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CC(C3CCC(F)C(F)C3)CCC2C1
InChIInChI=1S/C17H28F2/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-6-7-16(18)17(19)10-15/h11-17H,2-10H2,1H3
InChIKeyRFNDLXTYIGRARB-UHFFFAOYSA-N
MW270.41 g/mol
LogP5.32
Rot. Bonds1

About 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142971586) has the molecular formula C17H28F2 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142971586
Molecular FormulaC17H28F2
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CC(C3CCC(F)C(F)C3)CCC2C1
InChIInChI=1S/C17H28F2/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-6-7-16(18)17(19)10-15/h11-17H,2-10H2,1H3
InChIKeyRFNDLXTYIGRARB-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Fichtelite
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142971586) is 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC2CC(C3CCC(F)C(F)C3)CCC2C1.
What is the InChIKey of 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is RFNDLXTYIGRARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-6-7-16(18)17(19)10-15/h11-17H,2-10H2,1H3.
What are the key properties of 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 270.41 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142971586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).