(2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine

C10H17F2N — CID 23237474

IUPAC(2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine
SMILESN[C@H]1CC[C@@H]2CC(F)(F)CC[C@H]2C1
InChIInChI=1S/C10H17F2N/c11-10(12)4-3-7-5-9(13)2-1-8(7)6-10/h7-9H,1-6,13H2/t7-,8+,9-/m0/s1
InChIKeyOQTVWMWDIUGGKF-YIZRAAEISA-N
MW189.25 g/mol
LogP2.55
Rot. Bonds

About (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine

(2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine (PubChem CID 23237474) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name(2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine
PubChem CID23237474
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine
SMILESN[C@H]1CC[C@@H]2CC(F)(F)CC[C@H]2C1
InChIInChI=1S/C10H17F2N/c11-10(12)4-3-7-5-9(13)2-1-8(7)6-10/h7-9H,1-6,13H2/t7-,8+,9-/m0/s1
InChIKeyOQTVWMWDIUGGKF-YIZRAAEISA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine?
The IUPAC name of (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine (CID 23237474) is (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine.
What is the SMILES notation for (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine?
The canonical SMILES for (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine is N[C@H]1CC[C@@H]2CC(F)(F)CC[C@H]2C1.
What is the InChIKey of (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine?
The InChIKey is OQTVWMWDIUGGKF-YIZRAAEISA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)4-3-7-5-9(13)2-1-8(7)6-10/h7-9H,1-6,13H2/t7-,8+,9-/m0/s1.
What are the key properties of (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine?
(2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine has a molecular weight of 189.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,8aS)-6,6-difluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 23237474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).