ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine

C12H28FN — CID 176976752

IUPACethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
SMILESCC.CCN(C)C(C)(CC)CC(C)F
InChIInChI=1S/C10H22FN.C2H6/c1-6-10(4,8-9(3)11)12(5)7-2;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyFXKDSWDYZPEWOY-UHFFFAOYSA-N
MW205.36 g/mol
LogP3.88
Rot. Bonds5

About ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine

ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine (PubChem CID 176976752) has the molecular formula C12H28FN and a molecular weight of 205.36 g/mol. Its IUPAC name is ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine.

Molecular Properties

Compound Nameethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
PubChem CID176976752
Molecular FormulaC12H28FN
Molecular Weight205.36 g/mol
Exact Mass205.22
IUPAC Nameethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
SMILESCC.CCN(C)C(C)(CC)CC(C)F
InChIInChI=1S/C10H22FN.C2H6/c1-6-10(4,8-9(3)11)12(5)7-2;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyFXKDSWDYZPEWOY-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
The IUPAC name of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine (CID 176976752) is ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine.
What is the SMILES notation for ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
The canonical SMILES for ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine is CC.CCN(C)C(C)(CC)CC(C)F.
What is the InChIKey of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
The InChIKey is FXKDSWDYZPEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN.C2H6/c1-6-10(4,8-9(3)11)12(5)7-2;1-2/h9H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine?
ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine has a molecular weight of 205.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine is sourced from PubChem (CID 176976752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).