(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid

C19H17F3N2O3 — CID 66791285

IUPAC(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid
SMILESNC(=O)C(CC(F)(F)F)N(CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)9-16(17(23)25)24(18(26)27)10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,23,25)(H,26,27)
InChIKeyRGOVUYAPLUNWFJ-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.59
Rot. Bonds5

About (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid

(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid (PubChem CID 66791285) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid.

Molecular Properties

Compound Name(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid
PubChem CID66791285
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid
SMILESNC(=O)C(CC(F)(F)F)N(CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)9-16(17(23)25)24(18(26)27)10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,23,25)(H,26,27)
InChIKeyRGOVUYAPLUNWFJ-UHFFFAOYSA-N
XLogP3.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid?
The IUPAC name of (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid (CID 66791285) is (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid.
What is the SMILES notation for (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid?
The canonical SMILES for (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid is NC(=O)C(CC(F)(F)F)N(CC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid?
The InChIKey is RGOVUYAPLUNWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)9-16(17(23)25)24(18(26)27)10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,23,25)(H,26,27).
What are the key properties of (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid?
(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid has a molecular weight of 378.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)-(9H-fluoren-9-ylmethyl)carbamic acid is sourced from PubChem (CID 66791285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).