2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine

C13H20F2N2 — CID 115406341

IUPAC2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NCC(F)F)c1ccccc1
InChIInChI=1S/C13H20F2N2/c1-10(11-5-3-2-4-6-11)7-12(8-16)17-9-13(14)15/h2-6,10,12-13,17H,7-9,16H2,1H3
InChIKeyFVLQEGFGVBKZKY-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.36
Rot. Bonds7

About 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine

2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine (PubChem CID 115406341) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
PubChem CID115406341
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NCC(F)F)c1ccccc1
InChIInChI=1S/C13H20F2N2/c1-10(11-5-3-2-4-6-11)7-12(8-16)17-9-13(14)15/h2-6,10,12-13,17H,7-9,16H2,1H3
InChIKeyFVLQEGFGVBKZKY-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-4-phenylpentane-1,2-diamine
CID 62070521
2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
CID 113464327
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
CID 65385753
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943
2-methoxy-4-phenylpentan-1-amine
CID 66072374
4-methyl-2-(2-phenylpropylamino)pentan-1-ol
CID 61246256
[(2S)-2-phenylpropyl]hydrazine
CID 76971638
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-fluoro-3-phenylbutan-1-amine
CID 126843894

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine (CID 115406341) is 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine is CC(CC(CN)NCC(F)F)c1ccccc1.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine?
The InChIKey is FVLQEGFGVBKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-10(11-5-3-2-4-6-11)7-12(8-16)17-9-13(14)15/h2-6,10,12-13,17H,7-9,16H2,1H3.
What are the key properties of 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine?
2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine is sourced from PubChem (CID 115406341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).