4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol

C7H13F5N2O — CID 19419150

IUPAC4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol
SMILESNCCCC(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O/c8-6(9,7(10,11)12)5(15)4(14)2-1-3-13/h4-5,15H,1-3,13-14H2
InChIKeyXWYUVSQCTFWIFN-UHFFFAOYSA-N
MW236.18 g/mol
LogP0.61
Rot. Bonds5

About 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol

4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol (PubChem CID 19419150) has the molecular formula C7H13F5N2O and a molecular weight of 236.18 g/mol. Its IUPAC name is 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol.

Molecular Properties

Compound Name4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol
PubChem CID19419150
Molecular FormulaC7H13F5N2O
Molecular Weight236.18 g/mol
Exact Mass236.09
IUPAC Name4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol
SMILESNCCCC(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O/c8-6(9,7(10,11)12)5(15)4(14)2-1-3-13/h4-5,15H,1-3,13-14H2
InChIKeyXWYUVSQCTFWIFN-UHFFFAOYSA-N
XLogP0.61
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol--hydrogen chloride (1/1)
CID 24190435
1-Amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 14914914
2-Amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol
CID 62948392
rac-(1R,2R)-2-amino-4,4-difluorocyclopentan-1-ol
CID 105427899
5-Amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol
CID 418964
1,4-Diamino-6,6-difluorononan-5-ol
CID 11009190
3,6-Diamino-1,1,1-trifluorohexan-2-ol
CID 15344721
3-Amino-1,1,1-trifluoroheptan-2-OL
CID 22121539
4-Amino-1,1,1,2,2-pentafluorohexan-3-ol
CID 59092951
6-Amino-1,1,1-trifluorohexan-2-ol
CID 84731899
4-Amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride
CID 86199159
(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol
CID 88260427

Frequently Asked Questions

What is the IUPAC name of 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol?
The IUPAC name of 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol (CID 19419150) is 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol.
What is the SMILES notation for 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol?
The canonical SMILES for 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol is NCCCC(N)C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol?
The InChIKey is XWYUVSQCTFWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F5N2O/c8-6(9,7(10,11)12)5(15)4(14)2-1-3-13/h4-5,15H,1-3,13-14H2.
What are the key properties of 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol?
4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol has a molecular weight of 236.18 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diamino-1,1,1,2,2-pentafluoroheptan-3-ol is sourced from PubChem (CID 19419150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).