2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile

C11H17F3N2 — CID 103367826

IUPAC2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC(C)N(CC1CC1)CC(C#N)C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-8(2)16(6-9-3-4-9)7-10(5-15)11(12,13)14/h8-10H,3-4,6-7H2,1-2H3
InChIKeyVQHVLZBHLMEJDO-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.81
Rot. Bonds5

About 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367826) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367826
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC(C)N(CC1CC1)CC(C#N)C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-8(2)16(6-9-3-4-9)7-10(5-15)11(12,13)14/h8-10H,3-4,6-7H2,1-2H3
InChIKeyVQHVLZBHLMEJDO-UHFFFAOYSA-N
XLogP2.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367826) is 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile is CC(C)N(CC1CC1)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is VQHVLZBHLMEJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-8(2)16(6-9-3-4-9)7-10(5-15)11(12,13)14/h8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 234.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).