N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine

C20H14F3N — CID 22664064

IUPACN-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine
SMILESFc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)c(F)c1F
InChIInChI=1S/C20H14F3N/c21-18-8-5-13(19(22)20(18)23)11-24-15-6-7-17-14(10-15)9-12-3-1-2-4-16(12)17/h1-8,10,24H,9,11H2
InChIKeyGUPXTZZFYAFWAN-UHFFFAOYSA-N
MW325.33 g/mol
LogP5.29
Rot. Bonds3

About N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine

N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine (PubChem CID 22664064) has the molecular formula C20H14F3N and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine
PubChem CID22664064
Molecular FormulaC20H14F3N
Molecular Weight325.33 g/mol
Exact Mass325.11
IUPAC NameN-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine
SMILESFc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)c(F)c1F
InChIInChI=1S/C20H14F3N/c21-18-8-5-13(19(22)20(18)23)11-24-15-6-7-17-14(10-15)9-12-3-1-2-4-16(12)17/h1-8,10,24H,9,11H2
InChIKeyGUPXTZZFYAFWAN-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrrol-2-ylmethyl)-9H-fluoren-2-amine
CID 62327002
N-(thiophen-3-ylmethyl)-9H-fluoren-2-amine
CID 22663948
N-(1,3-thiazol-5-ylmethyl)-9H-fluoren-2-amine
CID 62759027
N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine
CID 43759496
N-pent-3-ynyl-9H-fluoren-2-amine
CID 104805976
N'-(9H-fluoren-2-yl)-N-[[3-[[4-(9H-fluoren-2-ylamino)butylamino]methyl]phenyl]methyl]butane-1,4-diamine
CID 170909075
N-(quinolin-2-ylmethyl)-9H-fluoren-2-amine
CID 23521801
(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
CID 106931773
N-(cyclopentylmethyl)-9H-fluoren-2-amine
CID 63419501
N-(cyclobutylmethyl)-9H-fluoren-2-amine
CID 65458719
8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
CID 22664015
N-[(2-methyl-1H-imidazol-5-yl)methyl]-9H-fluoren-2-amine
CID 62741958

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine?
The IUPAC name of N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine (CID 22664064) is N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine.
What is the SMILES notation for N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine?
The canonical SMILES for N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine is Fc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)c(F)c1F.
What is the InChIKey of N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine?
The InChIKey is GUPXTZZFYAFWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N/c21-18-8-5-13(19(22)20(18)23)11-24-15-6-7-17-14(10-15)9-12-3-1-2-4-16(12)17/h1-8,10,24H,9,11H2.
What are the key properties of N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine?
N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine has a molecular weight of 325.33 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine is sourced from PubChem (CID 22664064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).