3-fluoro-5,5-dimethylhexan-2-amine

C8H18FN — CID 105429117

IUPAC3-fluoro-5,5-dimethylhexan-2-amine
SMILESCC(N)C(F)CC(C)(C)C
InChIInChI=1S/C8H18FN/c1-6(10)7(9)5-8(2,3)4/h6-7H,5,10H2,1-4H3
InChIKeyZFZWKFHJPOJRRR-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.11
Rot. Bonds2

About 3-fluoro-5,5-dimethylhexan-2-amine

3-fluoro-5,5-dimethylhexan-2-amine (PubChem CID 105429117) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-fluoro-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name3-fluoro-5,5-dimethylhexan-2-amine
PubChem CID105429117
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name3-fluoro-5,5-dimethylhexan-2-amine
SMILESCC(N)C(F)CC(C)(C)C
InChIInChI=1S/C8H18FN/c1-6(10)7(9)5-8(2,3)4/h6-7H,5,10H2,1-4H3
InChIKeyZFZWKFHJPOJRRR-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,5-dimethylhexan-2-amine?
The IUPAC name of 3-fluoro-5,5-dimethylhexan-2-amine (CID 105429117) is 3-fluoro-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 3-fluoro-5,5-dimethylhexan-2-amine?
The canonical SMILES for 3-fluoro-5,5-dimethylhexan-2-amine is CC(N)C(F)CC(C)(C)C.
What is the InChIKey of 3-fluoro-5,5-dimethylhexan-2-amine?
The InChIKey is ZFZWKFHJPOJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-6(10)7(9)5-8(2,3)4/h6-7H,5,10H2,1-4H3.
What are the key properties of 3-fluoro-5,5-dimethylhexan-2-amine?
3-fluoro-5,5-dimethylhexan-2-amine has a molecular weight of 147.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 105429117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).