ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol

C8H18F3NO — CID 145406837

IUPACethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol
SMILESCC.CCN(C)C(CO)C(F)(F)F
InChIInChI=1S/C6H12F3NO.C2H6/c1-3-10(2)5(4-11)6(7,8)9;1-2/h5,11H,3-4H2,1-2H3;1-2H3
InChIKeyJDNBZZXVFGXVQG-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.89
Rot. Bonds3

About ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol

ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol (PubChem CID 145406837) has the molecular formula C8H18F3NO and a molecular weight of 201.23 g/mol. Its IUPAC name is ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Nameethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol
PubChem CID145406837
Molecular FormulaC8H18F3NO
Molecular Weight201.23 g/mol
Exact Mass201.13
IUPAC Nameethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol
SMILESCC.CCN(C)C(CO)C(F)(F)F
InChIInChI=1S/C6H12F3NO.C2H6/c1-3-10(2)5(4-11)6(7,8)9;1-2/h5,11H,3-4H2,1-2H3;1-2H3
InChIKeyJDNBZZXVFGXVQG-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol (CID 145406837) is ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol is CC.CCN(C)C(CO)C(F)(F)F.
What is the InChIKey of ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol?
The InChIKey is JDNBZZXVFGXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO.C2H6/c1-3-10(2)5(4-11)6(7,8)9;1-2/h5,11H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol?
ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol has a molecular weight of 201.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl(methyl)amino]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 145406837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).