(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine

C9H6Cl2F5N — CID 93268532

IUPAC(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6Cl2F5N/c10-5-2-1-4(3-6(5)11)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2/t7-/m0/s1
InChIKeyLKFCNDXYAODOAG-ZETCQYMHSA-N
MW294.05 g/mol
LogP4.19
Rot. Bonds2

About (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine

(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 93268532) has the molecular formula C9H6Cl2F5N and a molecular weight of 294.05 g/mol. Its IUPAC name is (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID93268532
Molecular FormulaC9H6Cl2F5N
Molecular Weight294.05 g/mol
Exact Mass292.98
IUPAC Name(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6Cl2F5N/c10-5-2-1-4(3-6(5)11)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2/t7-/m0/s1
InChIKeyLKFCNDXYAODOAG-ZETCQYMHSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.05
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312474
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311761
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
CID 171311499
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311632
1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248571
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 171312213
(1S)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethanamine
CID 56971915
(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171312332
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312431
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 93268532) is (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine is N[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is LKFCNDXYAODOAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H6Cl2F5N/c10-5-2-1-4(3-6(5)11)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2/t7-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 294.05 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 93268532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).