(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride

C7H16Cl2F2N2 — CID 118994718

IUPAC(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(CF)CF)C1
InChIInChI=1S/C7H14F2N2.2ClH/c8-3-7(4-9)11-2-1-6(10)5-11;;/h6-7H,1-5,10H2;2*1H/t6-;;/m1../s1
InChIKeyVYYVTSOJNUXOPR-QYCVXMPOSA-N
MW237.12 g/mol
LogP1.17
Rot. Bonds3

About (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride

(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 118994718) has the molecular formula C7H16Cl2F2N2 and a molecular weight of 237.12 g/mol. Its IUPAC name is (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride
PubChem CID118994718
Molecular FormulaC7H16Cl2F2N2
Molecular Weight237.12 g/mol
Exact Mass236.07
IUPAC Name(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(CF)CF)C1
InChIInChI=1S/C7H14F2N2.2ClH/c8-3-7(4-9)11-2-1-6(10)5-11;;/h6-7H,1-5,10H2;2*1H/t6-;;/m1../s1
InChIKeyVYYVTSOJNUXOPR-QYCVXMPOSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67298942
(3S)-1-(4,4,4-trifluorobutan-2-yl)pyrrolidin-3-amine;hydrochloride
CID 130617405
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1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine
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CID 130948140
1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride
CID 175596076
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CID 66872261
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80552662
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(1-fluoropropyl)piperidin-4-amine
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1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride (CID 118994718) is (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCN(C(CF)CF)C1.
What is the InChIKey of (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is VYYVTSOJNUXOPR-QYCVXMPOSA-N. The full InChI is InChI=1S/C7H14F2N2.2ClH/c8-3-7(4-9)11-2-1-6(10)5-11;;/h6-7H,1-5,10H2;2*1H/t6-;;/m1../s1.
What are the key properties of (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride?
(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 237.12 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 118994718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).