4-fluoro-5,5-dimethylhexan-1-amine

C8H18FN — CID 83855225

IUPAC4-fluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)C(F)CCCN
InChIInChI=1S/C8H18FN/c1-8(2,3)7(9)5-4-6-10/h7H,4-6,10H2,1-3H3
InChIKeyYQHXEKAFDSHYFY-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.11
Rot. Bonds3

About 4-fluoro-5,5-dimethylhexan-1-amine

4-fluoro-5,5-dimethylhexan-1-amine (PubChem CID 83855225) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-fluoro-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name4-fluoro-5,5-dimethylhexan-1-amine
PubChem CID83855225
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name4-fluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)C(F)CCCN
InChIInChI=1S/C8H18FN/c1-8(2,3)7(9)5-4-6-10/h7H,4-6,10H2,1-3H3
InChIKeyYQHXEKAFDSHYFY-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-7,7-dimethyloctan-1-amine
CID 83855226
2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride
CID 105430435
5-amino-2-tert-butylpentan-1-ol
CID 59516739
4,5-dimethylhexan-1-amine
CID 55283993
(3R,7S)-3,7-difluoro-2,2,6,6-tetramethyloctane
CID 167051868
propane-1,3-diamine;propane-2,2-diamine
CID 159356345
5,5-difluoropentane-1,4-diamine;hydrochloride
CID 22752191
6-fluoroheptan-1-amine
CID 83855129
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
9-amino-2,6-dimethylnonan-2-ol
CID 55254540
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386
(6R)-6-tert-butyloct-7-en-1-amine
CID 153380235

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,5-dimethylhexan-1-amine?
The IUPAC name of 4-fluoro-5,5-dimethylhexan-1-amine (CID 83855225) is 4-fluoro-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 4-fluoro-5,5-dimethylhexan-1-amine?
The canonical SMILES for 4-fluoro-5,5-dimethylhexan-1-amine is CC(C)(C)C(F)CCCN.
What is the InChIKey of 4-fluoro-5,5-dimethylhexan-1-amine?
The InChIKey is YQHXEKAFDSHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-8(2,3)7(9)5-4-6-10/h7H,4-6,10H2,1-3H3.
What are the key properties of 4-fluoro-5,5-dimethylhexan-1-amine?
4-fluoro-5,5-dimethylhexan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 83855225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).