3,3-difluoro-2,2,4-trimethylpentan-1-amine

C8H17F2N — CID 116839608

IUPAC3,3-difluoro-2,2,4-trimethylpentan-1-amine
SMILESCC(C)C(F)(F)C(C)(C)CN
InChIInChI=1S/C8H17F2N/c1-6(2)8(9,10)7(3,4)5-11/h6H,5,11H2,1-4H3
InChIKeyLSPBOUAZGFFUOU-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.26
Rot. Bonds3

About 3,3-difluoro-2,2,4-trimethylpentan-1-amine

3,3-difluoro-2,2,4-trimethylpentan-1-amine (PubChem CID 116839608) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 3,3-difluoro-2,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2,2,4-trimethylpentan-1-amine
PubChem CID116839608
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name3,3-difluoro-2,2,4-trimethylpentan-1-amine
SMILESCC(C)C(F)(F)C(C)(C)CN
InChIInChI=1S/C8H17F2N/c1-6(2)8(9,10)7(3,4)5-11/h6H,5,11H2,1-4H3
InChIKeyLSPBOUAZGFFUOU-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-3-methylbutan-1-amine
CID 22002026
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
2,2-difluoro-3-methylbutan-1-amine;hydrochloride
CID 105431378
2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol
CID 105433377
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
2-ethyl-2-fluoro-3-methylbutan-1-amine
CID 112565881
2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
CID 112566856
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
2,3,3-trifluoro-2-methylpropan-1-amine
CID 112565083
3,3-difluoro-2-methylbutan-1-amine
CID 84647801

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2,4-trimethylpentan-1-amine?
The IUPAC name of 3,3-difluoro-2,2,4-trimethylpentan-1-amine (CID 116839608) is 3,3-difluoro-2,2,4-trimethylpentan-1-amine.
What is the SMILES notation for 3,3-difluoro-2,2,4-trimethylpentan-1-amine?
The canonical SMILES for 3,3-difluoro-2,2,4-trimethylpentan-1-amine is CC(C)C(F)(F)C(C)(C)CN.
What is the InChIKey of 3,3-difluoro-2,2,4-trimethylpentan-1-amine?
The InChIKey is LSPBOUAZGFFUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-6(2)8(9,10)7(3,4)5-11/h6H,5,11H2,1-4H3.
What are the key properties of 3,3-difluoro-2,2,4-trimethylpentan-1-amine?
3,3-difluoro-2,2,4-trimethylpentan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 116839608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).