(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride

C9H10Br2ClF2N — CID 171313945

IUPAC(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H9Br2F2N.ClH/c10-6-1-5(2-7(11)3-6)8(14)4-9(12)13;/h1-3,8-9H,4,14H2;1H/t8-;/m1./s1
InChIKeyQDVVJNGHGWPBBN-DDWIOCJRSA-N
MW365.44 g/mol
LogP4.29
Rot. Bonds3

About (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313945) has the molecular formula C9H10Br2ClF2N and a molecular weight of 365.44 g/mol. Its IUPAC name is (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313945
Molecular FormulaC9H10Br2ClF2N
Molecular Weight365.44 g/mol
Exact Mass362.88
IUPAC Name(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H9Br2F2N.ClH/c10-6-1-5(2-7(11)3-6)8(14)4-9(12)13;/h1-3,8-9H,4,14H2;1H/t8-;/m1./s1
InChIKeyQDVVJNGHGWPBBN-DDWIOCJRSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
2-[(1S)-1-amino-3,3-difluoropropyl]-4,6-dibromoaniline;hydrochloride
CID 171312845
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313619
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313945) is (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1cc(Br)cc(Br)c1.
What is the InChIKey of (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is QDVVJNGHGWPBBN-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9Br2F2N.ClH/c10-6-1-5(2-7(11)3-6)8(14)4-9(12)13;/h1-3,8-9H,4,14H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 365.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).