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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-N,3-dimethylbut-1-en-2-amine
CID 20590728
3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
N-(2,2-difluoroethyl)pent-1-en-2-amine
CID 88914820
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
(Z)-2-fluoro-3-methyl-N-prop-1-en-2-ylbut-1-en-1-amine
CID 131999448
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
1-N-methyl-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
CID 134441892
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
CID 139429986
4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
CID 142175087
4,4,4-trifluoro-N-propylbut-1-en-2-amine
CID 144591695
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
CID 146536937

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).