1,1-difluoro-1-naphthalen-1-ylpropan-2-amine

C13H13F2N — CID 116839348

IUPAC1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
SMILESCC(N)C(F)(F)c1cccc2ccccc12
InChIInChI=1S/C13H13F2N/c1-9(16)13(14,15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3
InChIKeyFYURTXZFIQKVNQ-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.28
Rot. Bonds2

About 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine

1,1-difluoro-1-naphthalen-1-ylpropan-2-amine (PubChem CID 116839348) has the molecular formula C13H13F2N and a molecular weight of 221.25 g/mol. Its IUPAC name is 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
PubChem CID116839348
Molecular FormulaC13H13F2N
Molecular Weight221.25 g/mol
Exact Mass221.10
IUPAC Name1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
SMILESCC(N)C(F)(F)c1cccc2ccccc12
InChIInChI=1S/C13H13F2N/c1-9(16)13(14,15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3
InChIKeyFYURTXZFIQKVNQ-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
CID 22486889
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
CID 66089361
1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine
CID 116839342
1-[difluoro(methylsulfanyl)methyl]naphthalene
CID 14982601
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
1-(trichloromethyl)naphthalene
CID 12791328
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
CID 80604679

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine (CID 116839348) is 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine is CC(N)C(F)(F)c1cccc2ccccc12.
What is the InChIKey of 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine?
The InChIKey is FYURTXZFIQKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N/c1-9(16)13(14,15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3.
What are the key properties of 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine?
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine has a molecular weight of 221.25 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-naphthalen-1-ylpropan-2-amine is sourced from PubChem (CID 116839348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).