(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C17H17ClF3N — CID 171233279

IUPAC(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16F3N.ClH/c18-17(19,20)8-7-16(21)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15;/h1-6,10,16H,7-9,21H2;1H/t16-;/m0./s1
InChIKeyGWCUJAPFTBOOQM-NTISSMGPSA-N
MW327.78 g/mol
LogP5.02
Rot. Bonds3

About (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171233279) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171233279
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16F3N.ClH/c18-17(19,20)8-7-16(21)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15;/h1-6,10,16H,7-9,21H2;1H/t16-;/m0./s1
InChIKeyGWCUJAPFTBOOQM-NTISSMGPSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.78
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropan-1-amine
CID 171213653
(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride
CID 171233257
(1S)-1-(9H-fluoren-2-yl)butan-1-amine
CID 171233264
(1S)-1-(9H-fluoren-2-yl)-3,3-difluoropropan-1-amine
CID 171313299
(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
CID 171233295
1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172658
1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
CID 64634231
(2S)-2-amino-2-(9H-fluoren-3-yl)ethanol
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1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167242
(R)-cyclopropyl(9H-fluoren-2-yl)methanamine;hydrochloride
CID 171213662
2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
CID 64653976
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol;hydrochloride
CID 171270728

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171233279) is (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@@H](CCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is GWCUJAPFTBOOQM-NTISSMGPSA-N. The full InChI is InChI=1S/C17H16F3N.ClH/c18-17(19,20)8-7-16(21)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15;/h1-6,10,16H,7-9,21H2;1H/t16-;/m0./s1.
What are the key properties of (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 327.78 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171233279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).