N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine

C9H19F2N — CID 123218401

IUPACN,N-diethyl-2,2-difluoro-3-methylbutan-1-amine
SMILESCCN(CC)CC(F)(F)C(C)C
InChIInChI=1S/C9H19F2N/c1-5-12(6-2)7-9(10,11)8(3)4/h8H,5-7H2,1-4H3
InChIKeyUDDQIAMJAMPESK-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.62
Rot. Bonds5

About N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine

N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine (PubChem CID 123218401) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-3-methylbutan-1-amine
PubChem CID123218401
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC NameN,N-diethyl-2,2-difluoro-3-methylbutan-1-amine
SMILESCCN(CC)CC(F)(F)C(C)C
InChIInChI=1S/C9H19F2N/c1-5-12(6-2)7-9(10,11)8(3)4/h8H,5-7H2,1-4H3
InChIKeyUDDQIAMJAMPESK-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylbutyl)diethylamine
CID 199672
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
N,N-Dibutyl-N-(difluoromethyl)butan-1-aminium chloride
CID 24750688
Pentafluorotributylamine
CID 129731872
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
Isoamyldibutylamine
CID 20558830
Nona-fluorotributylamine
CID 86154332
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782
(2-methylbutyl)-N,N'-diethylamine
CID 13315691

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine?
The IUPAC name of N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine (CID 123218401) is N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine?
The canonical SMILES for N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine is CCN(CC)CC(F)(F)C(C)C.
What is the InChIKey of N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine?
The InChIKey is UDDQIAMJAMPESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-5-12(6-2)7-9(10,11)8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine?
N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine is sourced from PubChem (CID 123218401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).