ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine

C11H24FN — CID 176685786

IUPACethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine
SMILESCC.CCN(C(C)C)C1(CF)CC1
InChIInChI=1S/C9H18FN.C2H6/c1-4-11(8(2)3)9(7-10)5-6-9;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyYGDMMXKUYVKUTH-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.24
Rot. Bonds4

About ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine

ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine (PubChem CID 176685786) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine
PubChem CID176685786
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Nameethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine
SMILESCC.CCN(C(C)C)C1(CF)CC1
InChIInChI=1S/C9H18FN.C2H6/c1-4-11(8(2)3)9(7-10)5-6-9;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyYGDMMXKUYVKUTH-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine (CID 176685786) is ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine is CC.CCN(C(C)C)C1(CF)CC1.
What is the InChIKey of ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is YGDMMXKUYVKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C2H6/c1-4-11(8(2)3)9(7-10)5-6-9;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine?
ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-(fluoromethyl)-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 176685786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).