N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine

C10H21F2N — CID 130245672

IUPACN-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine
SMILESCCN(C)CCC(F)(F)C(C)(C)C
InChIInChI=1S/C10H21F2N/c1-6-13(5)8-7-10(11,12)9(2,3)4/h6-8H2,1-5H3
InChIKeyRCYXCFWVAQZSEK-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine

N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine (PubChem CID 130245672) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine
PubChem CID130245672
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC NameN-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine
SMILESCCN(C)CCC(F)(F)C(C)(C)C
InChIInChI=1S/C10H21F2N/c1-6-13(5)8-7-10(11,12)9(2,3)4/h6-8H2,1-5H3
InChIKeyRCYXCFWVAQZSEK-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
The IUPAC name of N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine (CID 130245672) is N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine is CCN(C)CCC(F)(F)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
The InChIKey is RCYXCFWVAQZSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-6-13(5)8-7-10(11,12)9(2,3)4/h6-8H2,1-5H3.
What are the key properties of N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 130245672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).