N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine

C7H13F2N — CID 115406522

IUPACN-(2,2-difluoroethyl)-2-methylidenebutan-1-amine
SMILESC=C(CC)CNCC(F)F
InChIInChI=1S/C7H13F2N/c1-3-6(2)4-10-5-7(8)9/h7,10H,2-5H2,1H3
InChIKeyJUDLLJYFFVIJQY-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.81
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine

N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine (PubChem CID 115406522) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methylidenebutan-1-amine
PubChem CID115406522
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN-(2,2-difluoroethyl)-2-methylidenebutan-1-amine
SMILESC=C(CC)CNCC(F)F
InChIInChI=1S/C7H13F2N/c1-3-6(2)4-10-5-7(8)9/h7,10H,2-5H2,1H3
InChIKeyJUDLLJYFFVIJQY-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-2-methylidenebutan-1-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

2-methylidene-N-(2-phenylpropyl)butan-1-amine
CID 104591378
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
CID 106176036
2-(2-methylidenebutylamino)acetamide
CID 66047349
N'-ethyl-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046180
2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide
CID 115407292
N-[2-(2-methylidenebutylamino)ethyl]methanesulfonamide
CID 66047591
methyl 3-(2-methylidenebutylamino)propanoate
CID 66045929
N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
CID 66047604
3-methylidenepentane;hydrate
CID 162329688
3-methyl-N-(2-methylidenebutyl)pentan-2-amine
CID 66045931
2-[(2-methylidenebutylamino)methyl]phenol
CID 114331940

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine (CID 115406522) is N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine is C=C(CC)CNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine?
The InChIKey is JUDLLJYFFVIJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-6(2)4-10-5-7(8)9/h7,10H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine?
N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine is sourced from PubChem (CID 115406522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).