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

C7H16F2N2O — CID 115407398

IUPAC1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine
SMILESCOCCC(N)CNCC(F)F
InChIInChI=1S/C7H16F2N2O/c1-12-3-2-6(10)4-11-5-7(8)9/h6-7,11H,2-5,10H2,1H3
InChIKeyRWFKWOFBHDURGU-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.20
Rot. Bonds7

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

1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine (PubChem CID 115407398) has the molecular formula C7H16F2N2O and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine
PubChem CID115407398
Molecular FormulaC7H16F2N2O
Molecular Weight182.21 g/mol
Exact Mass182.12
IUPAC Name1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine
SMILESCOCCC(N)CNCC(F)F
InChIInChI=1S/C7H16F2N2O/c1-12-3-2-6(10)4-11-5-7(8)9/h6-7,11H,2-5,10H2,1H3
InChIKeyRWFKWOFBHDURGU-UHFFFAOYSA-N
XLogP0.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[4-(4-methylpiperazin-1-yl)butoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 142596972
4-(2-aminoethoxy)-3,3-difluoro-N-propan-2-ylbutan-1-amine
CID 156142584
(2S)-2-[(1S)-1-fluoro-2-methoxyethyl]piperazine
CID 175223950
N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 54986284
N'-methyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002663
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087800
1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087948
N-(4-ethoxybutyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089722
N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55097809
N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491262
4-methoxy-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 61863941
2-N,2-N-dimethyl-1-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 61882755

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine?
The IUPAC name of 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine (CID 115407398) is 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine is COCCC(N)CNCC(F)F.
What is the InChIKey of 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine?
The InChIKey is RWFKWOFBHDURGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O/c1-12-3-2-6(10)4-11-5-7(8)9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine?
1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine has a molecular weight of 182.21 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine is sourced from PubChem (CID 115407398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).