N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine

C10H21F3NP — CID 170318713

IUPACN-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine
SMILESCCCCC(C)N(CC(F)F)CC(F)P
InChIInChI=1S/C10H21F3NP/c1-3-4-5-8(2)14(6-9(11)12)7-10(13)15/h8-10H,3-7,15H2,1-2H3
InChIKeyXYBBRXVMJIDPIS-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.30
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine

N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine (PubChem CID 170318713) has the molecular formula C10H21F3NP and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine
PubChem CID170318713
Molecular FormulaC10H21F3NP
Molecular Weight243.25 g/mol
Exact Mass243.14
IUPAC NameN-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine
SMILESCCCCC(C)N(CC(F)F)CC(F)P
InChIInChI=1S/C10H21F3NP/c1-3-4-5-8(2)14(6-9(11)12)7-10(13)15/h8-10H,3-7,15H2,1-2H3
InChIKeyXYBBRXVMJIDPIS-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-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-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
CID 89315148
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
N-hexan-2-yl-N-methylthiohydroxylamine
CID 142548768
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
2-methylhexane;propane
CID 143695748
5-fluorononane
CID 14113820
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
heptan-3-ylphosphane;yttrium
CID 87745018
5-fluoro-6-methyldecane
CID 123598559
CID 91544051
CID 91544051
ethane;hexane;2-methylhexane
CID 142051007

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine (CID 170318713) is N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine is CCCCC(C)N(CC(F)F)CC(F)P.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine?
The InChIKey is XYBBRXVMJIDPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3NP/c1-3-4-5-8(2)14(6-9(11)12)7-10(13)15/h8-10H,3-7,15H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine?
N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine has a molecular weight of 243.25 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-fluoro-2-phosphanylethyl)hexan-2-amine is sourced from PubChem (CID 170318713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).