N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine

C7H13F2N — CID 155037031

IUPACN-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine
SMILESC=C(NCC(F)F)C(C)C
InChIInChI=1S/C7H13F2N/c1-5(2)6(3)10-4-7(8)9/h5,7,10H,3-4H2,1-2H3
InChIKeyPOLMVLDLGLOWQZ-UHFFFAOYSA-N
MW149.18 g/mol
LogP2.01
Rot. Bonds4

About N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine

N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine (PubChem CID 155037031) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine
PubChem CID155037031
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine
SMILESC=C(NCC(F)F)C(C)C
InChIInChI=1S/C7H13F2N/c1-5(2)6(3)10-4-7(8)9/h5,7,10H,3-4H2,1-2H3
InChIKeyPOLMVLDLGLOWQZ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine (CID 155037031) is N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine is C=C(NCC(F)F)C(C)C.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine?
The InChIKey is POLMVLDLGLOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)6(3)10-4-7(8)9/h5,7,10H,3-4H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine?
N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine has a molecular weight of 149.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine is sourced from PubChem (CID 155037031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).