1,1,4,4-tetrafluorobutane-2,3-diamine

C4H8F4N2 — CID 175422429

IUPAC1,1,4,4-tetrafluorobutane-2,3-diamine
SMILESNC(C(F)F)C(N)C(F)F
InChIInChI=1S/C4H8F4N2/c5-3(6)1(9)2(10)4(7)8/h1-4H,9-10H2
InChIKeyHBQVITWNUNSCME-UHFFFAOYSA-N
MW160.11 g/mol
LogP0.17
Rot. Bonds3

About 1,1,4,4-tetrafluorobutane-2,3-diamine

1,1,4,4-tetrafluorobutane-2,3-diamine (PubChem CID 175422429) has the molecular formula C4H8F4N2 and a molecular weight of 160.11 g/mol. Its IUPAC name is 1,1,4,4-tetrafluorobutane-2,3-diamine.

Molecular Properties

Compound Name1,1,4,4-tetrafluorobutane-2,3-diamine
PubChem CID175422429
Molecular FormulaC4H8F4N2
Molecular Weight160.11 g/mol
Exact Mass160.06
IUPAC Name1,1,4,4-tetrafluorobutane-2,3-diamine
SMILESNC(C(F)F)C(N)C(F)F
InChIInChI=1S/C4H8F4N2/c5-3(6)1(9)2(10)4(7)8/h1-4H,9-10H2
InChIKeyHBQVITWNUNSCME-UHFFFAOYSA-N
XLogP0.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrafluorobutane-2,3-diamine?
The IUPAC name of 1,1,4,4-tetrafluorobutane-2,3-diamine (CID 175422429) is 1,1,4,4-tetrafluorobutane-2,3-diamine.
What is the SMILES notation for 1,1,4,4-tetrafluorobutane-2,3-diamine?
The canonical SMILES for 1,1,4,4-tetrafluorobutane-2,3-diamine is NC(C(F)F)C(N)C(F)F.
What is the InChIKey of 1,1,4,4-tetrafluorobutane-2,3-diamine?
The InChIKey is HBQVITWNUNSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F4N2/c5-3(6)1(9)2(10)4(7)8/h1-4H,9-10H2.
What are the key properties of 1,1,4,4-tetrafluorobutane-2,3-diamine?
1,1,4,4-tetrafluorobutane-2,3-diamine has a molecular weight of 160.11 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrafluorobutane-2,3-diamine is sourced from PubChem (CID 175422429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).