6-fluoro-7,7-dimethyloctan-1-amine

C10H22FN — CID 83855226

IUPAC6-fluoro-7,7-dimethyloctan-1-amine
SMILESCC(C)(C)C(F)CCCCCN
InChIInChI=1S/C10H22FN/c1-10(2,3)9(11)7-5-4-6-8-12/h9H,4-8,12H2,1-3H3
InChIKeyLPYOQDCMRGSADQ-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.89
Rot. Bonds5

About 6-fluoro-7,7-dimethyloctan-1-amine

6-fluoro-7,7-dimethyloctan-1-amine (PubChem CID 83855226) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 6-fluoro-7,7-dimethyloctan-1-amine.

Molecular Properties

Compound Name6-fluoro-7,7-dimethyloctan-1-amine
PubChem CID83855226
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name6-fluoro-7,7-dimethyloctan-1-amine
SMILESCC(C)(C)C(F)CCCCCN
InChIInChI=1S/C10H22FN/c1-10(2,3)9(11)7-5-4-6-8-12/h9H,4-8,12H2,1-3H3
InChIKeyLPYOQDCMRGSADQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5,5-dimethylhexan-1-amine
CID 83855225
6-fluoroheptan-1-amine
CID 83855129
(6R)-6-tert-butyloct-7-en-1-amine
CID 153380235
36-methylheptatriacontan-1-amine
CID 134324173
21-(trifluoromethyl)hentetracontane-1,41-diamine
CID 150441397
pentacosane-1,13,25-triamine
CID 174653759
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
5,6-dimethylheptane-1,6-diamine;trifluoroborane
CID 88688314

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7,7-dimethyloctan-1-amine?
The IUPAC name of 6-fluoro-7,7-dimethyloctan-1-amine (CID 83855226) is 6-fluoro-7,7-dimethyloctan-1-amine.
What is the SMILES notation for 6-fluoro-7,7-dimethyloctan-1-amine?
The canonical SMILES for 6-fluoro-7,7-dimethyloctan-1-amine is CC(C)(C)C(F)CCCCCN.
What is the InChIKey of 6-fluoro-7,7-dimethyloctan-1-amine?
The InChIKey is LPYOQDCMRGSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-10(2,3)9(11)7-5-4-6-8-12/h9H,4-8,12H2,1-3H3.
What are the key properties of 6-fluoro-7,7-dimethyloctan-1-amine?
6-fluoro-7,7-dimethyloctan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7,7-dimethyloctan-1-amine is sourced from PubChem (CID 83855226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).