(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

C10H16F2 — CID 162534781

IUPAC(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESFC1(F)CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C10H16F2/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1
InChIKeyBNPLUACFCHIRQQ-IUCAKERBSA-N
MW174.23 g/mol
LogP3.61
Rot. Bonds

About (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (PubChem CID 162534781) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
PubChem CID162534781
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESFC1(F)CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C10H16F2/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1
InChIKeyBNPLUACFCHIRQQ-IUCAKERBSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene with MolForge

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Related Compounds

6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
CID 45090704
3-cyclopropyl-1,1-difluorocyclohexane
CID 174758607
(3aS,6aR)-2-cyclohexyl-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 178021547
3-cyclopropyl-1,1-difluorocyclobutane
CID 157034703
6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane
CID 178021651
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 5016583
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
CID 123272406
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
CID 175877016
CID 175877016

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The IUPAC name of (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (CID 162534781) is (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.
What is the SMILES notation for (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The canonical SMILES for (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is FC1(F)CC[C@@H]2CCCC[C@H]2C1.
What is the InChIKey of (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The InChIKey is BNPLUACFCHIRQQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16F2/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1.
What are the key properties of (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene has a molecular weight of 174.23 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 162534781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).