(NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine

C21H19F6NO — CID 118374117

IUPAC(NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2c(c1)C(CCC(F)(F)F)(CCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H19F6NO/c1-13(28-29)14-6-7-16-15-4-2-3-5-17(15)19(18(16)12-14,8-10-20(22,23)24)9-11-21(25,26)27/h2-7,12,29H,8-11H2,1H3/b28-13+
InChIKeyFLGQONYILBUOBF-XODNFHPESA-N
MW415.38 g/mol
LogP6.84
Rot. Bonds5

About (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine (PubChem CID 118374117) has the molecular formula C21H19F6NO and a molecular weight of 415.38 g/mol. Its IUPAC name is (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine
PubChem CID118374117
Molecular FormulaC21H19F6NO
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name(NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2c(c1)C(CCC(F)(F)F)(CCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H19F6NO/c1-13(28-29)14-6-7-16-15-4-2-3-5-17(15)19(18(16)12-14,8-10-20(22,23)24)9-11-21(25,26)27/h2-7,12,29H,8-11H2,1H3/b28-13+
InChIKeyFLGQONYILBUOBF-XODNFHPESA-N
XLogP6.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine (CID 118374117) is (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc2c(c1)C(CCC(F)(F)F)(CCC(F)(F)F)c1ccccc1-2.
What is the InChIKey of (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine?
The InChIKey is FLGQONYILBUOBF-XODNFHPESA-N. The full InChI is InChI=1S/C21H19F6NO/c1-13(28-29)14-6-7-16-15-4-2-3-5-17(15)19(18(16)12-14,8-10-20(22,23)24)9-11-21(25,26)27/h2-7,12,29H,8-11H2,1H3/b28-13+.
What are the key properties of (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine has a molecular weight of 415.38 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 118374117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).