3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

C13H17F2N — CID 116838499

IUPAC3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESNCCC(F)(F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17F2N/c14-13(15,7-8-16)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8,16H2
InChIKeyWXWROJYZOSCMFP-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.01
Rot. Bonds3

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

3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (PubChem CID 116838499) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
PubChem CID116838499
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESNCCC(F)(F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17F2N/c14-13(15,7-8-16)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8,16H2
InChIKeyWXWROJYZOSCMFP-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 116841362
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
4-(3-amino-1,1-difluoropropyl)aniline
CID 84660577
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68793479
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (CID 116838499) is 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is NCCC(F)(F)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The InChIKey is WXWROJYZOSCMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-13(15,7-8-16)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8,16H2.
What are the key properties of 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 116838499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).