4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine

C10H22FNO — CID 103392559

IUPAC4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine
SMILESCOCC(F)(CCCN)C(C)(C)C
InChIInChI=1S/C10H22FNO/c1-9(2,3)10(11,8-13-4)6-5-7-12/h5-8,12H2,1-4H3
InChIKeyKUVFDFNCGVVUCQ-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.13
Rot. Bonds5

About 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine

4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine (PubChem CID 103392559) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine
PubChem CID103392559
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine
SMILESCOCC(F)(CCCN)C(C)(C)C
InChIInChI=1S/C10H22FNO/c1-9(2,3)10(11,8-13-4)6-5-7-12/h5-8,12H2,1-4H3
InChIKeyKUVFDFNCGVVUCQ-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-2,2-dimethylpentan-1-amine
CID 62739417
5-Methoxy-4,4-dimethylpentan-1-amine
CID 94975411
2,2-Diethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723900
2-Ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724916
3,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81013232
2-Tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139778
2-Methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83159639
4-Fluoro-4-(methoxymethyl)hexan-1-amine
CID 103392395
4-Fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
CID 103392424
4-Fluoro-4-(methoxymethyl)-6-methylheptan-1-amine
CID 103392443
4-Fluoro-4-(methoxymethyl)-7,7-dimethyloctan-1-amine
CID 103392447
4-Cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine (CID 103392559) is 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine is COCC(F)(CCCN)C(C)(C)C.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine?
The InChIKey is KUVFDFNCGVVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-9(2,3)10(11,8-13-4)6-5-7-12/h5-8,12H2,1-4H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine?
4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 103392559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).