N-benzyl-3,3-difluorobutan-2-amine

C11H15F2N — CID 130723597

IUPACN-benzyl-3,3-difluorobutan-2-amine
SMILESCC(NCc1ccccc1)C(C)(F)F
InChIInChI=1S/C11H15F2N/c1-9(11(2,12)13)14-8-10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3
InChIKeyGGORUFFUHNUUKA-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.82
Rot. Bonds4

About N-benzyl-3,3-difluorobutan-2-amine

N-benzyl-3,3-difluorobutan-2-amine (PubChem CID 130723597) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-benzyl-3,3-difluorobutan-2-amine.

Molecular Properties

Compound NameN-benzyl-3,3-difluorobutan-2-amine
PubChem CID130723597
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-benzyl-3,3-difluorobutan-2-amine
SMILESCC(NCc1ccccc1)C(C)(F)F
InChIInChI=1S/C11H15F2N/c1-9(11(2,12)13)14-8-10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3
InChIKeyGGORUFFUHNUUKA-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(benzylamino)-3,3-difluoro-4-methylpentanoic acid
CID 129050680
N-benzyl-1-silylethanamine
CID 173405128
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526
1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957862
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957859
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-1-isocyanoethanamine
CID 21050847
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
CID 59828878
N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
CID 14965865
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-difluorobutan-2-amine?
The IUPAC name of N-benzyl-3,3-difluorobutan-2-amine (CID 130723597) is N-benzyl-3,3-difluorobutan-2-amine.
What is the SMILES notation for N-benzyl-3,3-difluorobutan-2-amine?
The canonical SMILES for N-benzyl-3,3-difluorobutan-2-amine is CC(NCc1ccccc1)C(C)(F)F.
What is the InChIKey of N-benzyl-3,3-difluorobutan-2-amine?
The InChIKey is GGORUFFUHNUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-9(11(2,12)13)14-8-10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-benzyl-3,3-difluorobutan-2-amine?
N-benzyl-3,3-difluorobutan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-difluorobutan-2-amine is sourced from PubChem (CID 130723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).