5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine

C8H13F2N — CID 105431578

IUPAC5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
SMILESNC1CC2CC(F)(F)CC2C1
InChIInChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2
InChIKeyZVGNSKWEOGCMNG-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.77
Rot. Bonds

About 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine

5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine (PubChem CID 105431578) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine.

Molecular Properties

Compound Name5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
PubChem CID105431578
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
SMILESNC1CC2CC(F)(F)CC2C1
InChIInChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2
InChIKeyZVGNSKWEOGCMNG-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
(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
bicyclo[3.2.0]heptan-3-amine
CID 53402094
(3aR,6aR)-5,5-difluoro-1,3,3a,4,6,6a-hexahydropentalen-2-one
CID 125041568
(3,3-difluorocyclobutyl)methanamine
CID 45480376
(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508
3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane
CID 166798484
2,2-difluorospiro[3.3]heptan-6-amine
CID 54595506
(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 177148579
4,4-difluoro-2-methylcyclopentan-1-amine
CID 168962386
6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
CID 86276611

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine?
The IUPAC name of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine (CID 105431578) is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine.
What is the SMILES notation for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine?
The canonical SMILES for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine is NC1CC2CC(F)(F)CC2C1.
What is the InChIKey of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine?
The InChIKey is ZVGNSKWEOGCMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2.
What are the key properties of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine?
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine has a molecular weight of 161.19 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine is sourced from PubChem (CID 105431578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).