N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine

C9H17F2N — CID 121474432

IUPACN-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)F)CC1CC1
InChIInChI=1S/C9H17F2N/c1-7(2)12(6-9(10)11)5-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKeyVFALIJUFXQZQMC-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine

N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine (PubChem CID 121474432) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine
PubChem CID121474432
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC NameN-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)F)CC1CC1
InChIInChI=1S/C9H17F2N/c1-7(2)12(6-9(10)11)5-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKeyVFALIJUFXQZQMC-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine (CID 121474432) is N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine is CC(C)N(CC(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine?
The InChIKey is VFALIJUFXQZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12(6-9(10)11)5-8-3-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine?
N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(2,2-difluoroethyl)propan-2-amine is sourced from PubChem (CID 121474432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).