3,3-difluoro-N,5,5-trimethyloctan-1-amine

C11H23F2N — CID 123315730

IUPAC3,3-difluoro-N,5,5-trimethyloctan-1-amine
SMILESCCCC(C)(C)CC(F)(F)CCNC
InChIInChI=1S/C11H23F2N/c1-5-6-10(2,3)9-11(12,13)7-8-14-4/h14H,5-9H2,1-4H3
InChIKeyWJOCXHDILAOVMA-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.45
Rot. Bonds7

About 3,3-difluoro-N,5,5-trimethyloctan-1-amine

3,3-difluoro-N,5,5-trimethyloctan-1-amine (PubChem CID 123315730) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 3,3-difluoro-N,5,5-trimethyloctan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N,5,5-trimethyloctan-1-amine
PubChem CID123315730
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name3,3-difluoro-N,5,5-trimethyloctan-1-amine
SMILESCCCC(C)(C)CC(F)(F)CCNC
InChIInChI=1S/C11H23F2N/c1-5-6-10(2,3)9-11(12,13)7-8-14-4/h14H,5-9H2,1-4H3
InChIKeyWJOCXHDILAOVMA-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,6,6-trimethylnonan-1-amine
CID 118650446
1-N,3-N,3-trimethylhexane-1,3-diamine
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N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
ethane;2,2,4,4-tetramethylheptane
CID 143291913
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
N,3-dimethyl-3-propan-2-ylhexan-1-amine
CID 130453352
2,4,4-trimethyl-N-propyloctan-2-amine
CID 166814463
N,3,3,5,5,8-hexamethylnonan-1-amine
CID 146573575
3-buta-2,3-dien-2-yl-N,3,5,5-tetramethylnonan-1-amine
CID 91229920
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
3,3-dimethylhexane
CID 11233

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,5,5-trimethyloctan-1-amine?
The IUPAC name of 3,3-difluoro-N,5,5-trimethyloctan-1-amine (CID 123315730) is 3,3-difluoro-N,5,5-trimethyloctan-1-amine.
What is the SMILES notation for 3,3-difluoro-N,5,5-trimethyloctan-1-amine?
The canonical SMILES for 3,3-difluoro-N,5,5-trimethyloctan-1-amine is CCCC(C)(C)CC(F)(F)CCNC.
What is the InChIKey of 3,3-difluoro-N,5,5-trimethyloctan-1-amine?
The InChIKey is WJOCXHDILAOVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-5-6-10(2,3)9-11(12,13)7-8-14-4/h14H,5-9H2,1-4H3.
What are the key properties of 3,3-difluoro-N,5,5-trimethyloctan-1-amine?
3,3-difluoro-N,5,5-trimethyloctan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,5,5-trimethyloctan-1-amine is sourced from PubChem (CID 123315730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).