1-(2,3-difluorophenyl)pentan-2-amine

C11H15F2N — CID 62601447

IUPAC1-(2,3-difluorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cccc(F)c1F
InChIInChI=1S/C11H15F2N/c1-2-4-9(14)7-8-5-3-6-10(12)11(8)13/h3,5-6,9H,2,4,7,14H2,1H3
InChIKeyVFVYKDVKRTUKQA-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,3-difluorophenyl)pentan-2-amine

1-(2,3-difluorophenyl)pentan-2-amine (PubChem CID 62601447) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)pentan-2-amine
PubChem CID62601447
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(2,3-difluorophenyl)pentan-2-amine
SMILESCCCC(N)Cc1cccc(F)c1F
InChIInChI=1S/C11H15F2N/c1-2-4-9(14)7-8-5-3-6-10(12)11(8)13/h3,5-6,9H,2,4,7,14H2,1H3
InChIKeyVFVYKDVKRTUKQA-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
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CID 63561895
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
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[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
1-(2-chloro-3-fluorophenyl)nonan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)pentan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)pentan-2-amine (CID 62601447) is 1-(2,3-difluorophenyl)pentan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)pentan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)pentan-2-amine is CCCC(N)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)pentan-2-amine?
The InChIKey is VFVYKDVKRTUKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-2-4-9(14)7-8-5-3-6-10(12)11(8)13/h3,5-6,9H,2,4,7,14H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)pentan-2-amine?
1-(2,3-difluorophenyl)pentan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)pentan-2-amine is sourced from PubChem (CID 62601447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).