2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

C16H21F4N — CID 79644292

IUPAC2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCCC2)C(F)(F)C(F)F
InChIInChI=1S/C16H21F4N/c1-2-9-21-14(16(19,20)15(17)18)13-8-7-11-5-3-4-6-12(11)10-13/h7-8,10,14-15,21H,2-6,9H2,1H3
InChIKeyBGUUIFWTXMHWNZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.51
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (PubChem CID 79644292) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
PubChem CID79644292
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCCC2)C(F)(F)C(F)F
InChIInChI=1S/C16H21F4N/c1-2-9-21-14(16(19,20)15(17)18)13-8-7-11-5-3-4-6-12(11)10-13/h7-8,10,14-15,21H,2-6,9H2,1H3
InChIKeyBGUUIFWTXMHWNZ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.51
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

N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79659812
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
N-[(5-methylthiophen-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 43494255
1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
CID 115814837
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 114249160

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (CID 79644292) is 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is CCCNC(c1ccc2c(c1)CCCC2)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The InChIKey is BGUUIFWTXMHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-2-9-21-14(16(19,20)15(17)18)13-8-7-11-5-3-4-6-12(11)10-13/h7-8,10,14-15,21H,2-6,9H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine has a molecular weight of 303.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 79644292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).