(1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride

C6H10ClF2N — CID 155943821

IUPAC(1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride
SMILESCl.NC1C[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)4-1-3(9)2-5(4)6;/h3-5H,1-2,9H2;1H/t3?,4-,5+;
InChIKeyDDXVVYHUUNFLFN-RSCCPHMWSA-N
MW169.60 g/mol
LogP1.41
Rot. Bonds

About (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride

(1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride (PubChem CID 155943821) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride
PubChem CID155943821
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name(1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride
SMILESCl.NC1C[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)4-1-3(9)2-5(4)6;/h3-5H,1-2,9H2;1H/t3?,4-,5+;
InChIKeyDDXVVYHUUNFLFN-RSCCPHMWSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride?
The IUPAC name of (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride (CID 155943821) is (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride.
What is the SMILES notation for (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride?
The canonical SMILES for (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride is Cl.NC1C[C@@H]2[C@H](C1)C2(F)F.
What is the InChIKey of (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride?
The InChIKey is DDXVVYHUUNFLFN-RSCCPHMWSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)4-1-3(9)2-5(4)6;/h3-5H,1-2,9H2;1H/t3?,4-,5+;.
What are the key properties of (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride?
(1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-amine;hydrochloride is sourced from PubChem (CID 155943821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).